ChemDBsoft V3 is TimTec Software for Managing Chemical Databases

Inexpensive and versatile ChemDBsoft could be the most user-friendly software for keeping, editing, and sharing e-records of your entire chemical inventory. ChemDBsoft equally effortlessly and accurately works for just a handful of records or for a databases size of several million structures. Its interface is similar to a Word document one and requires no training to start creating databases.

ChemDBsoft is compatible with the latest Windows versions and you can choose from three software package options to suit your lab and office needs.

  • ChemDBsoft Light
  • ChemDBsoft Standard
  • ChemDBsoft Standard plus Advanced Modules


ChemDBsoft Light is ideal for very small to medium chemicals inventory and can manage up to 50,000 structural records. Light version has a lot of functionalities in common with the full, Standard, version.

A user can create multiple databases and specialized fields within those databases, including ID-number, text, and numerical fields. Entering chemical structures is very easy with over 70 handy templates and advanced structure editor. Besides, structural drawings can be copied and pasted, imported in SDF, and exported in Excel, mol, sdf, txt, lst, and other formats. In other words, ongoing updates and data sharing with your colleagues and vendors is fast.

The software allows you to enter multiple fields for one chemical record to keep track of all information related to the structure. It is possible to search across the fields within one or more databases. Structure field search allows the entire structure, substructure, fragment, or a functional group input. Any search results subsets can be exported in a separate database. What is more, a user can insert any type of document into a database (into an object type field) and insert images as well.

ChemDBsoft V3 Standard is capable of managing nearly unlimited in size databases and is meant for very large chemical inventory. The database is very efficient when it comes down to computing resources -a million records take up to under 1GB. Standard version does structure comparison between databases and has advanced search, import and export functions. For example, Standard version recognizes tautomers, can remove or add salts from or to the structure fields, enables synthesis planning, and has SMILES support. ChemDBsoft V3 Standard is a powerful platform for add-on modules for chemical-physical properties calculations and predictions for drug discovery.

Order ChemDBsoft Standard or Light now

Advanced modules, add-ons forChemDBsoft V3 Standard

  • Structure Processing - advanced SDF files and structure field manipulation, SMILES, InChI and InChI keys generation
  • NMR-spectra processing, IR-spectra processing, MASS-spectra processing
  • Combinatorial Chemistry
  • Web Server extension
  • Barcode Module is free
  • Molecular Properties Optimization Project(MOLPRO) package:
SLIPPER: Solubility, Lipophilicity& Permeability.Prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorbtion. LogP, LogD, LogSw, FA
HYBOT(Windows) HYBOT(Unix) - Hydrogen bond thermodynamics. Calculation of local and molecular physicochemical descriptors
  • MOLDIVS - Molecular diversity and similarity estimation
  • DISCON - pK Prediction


Please contact us describing your chemical database management software needs and tasks for us to recommend a suitable product package. We are available for tech support before and after sales.

A note for our current ChemDBsoft users: Updated and more capable Version 3 (V3) is now available. V2 still remains operational and discounted upgrade can be done on request to enhance existing functionalities and add some new features.


For the full summary of ChemDBsoft, its modules,please visit:


News - Blog

10346 DNP-dPEG®4–acid




The term "dPEG®" is an acronym for "discrete poly(ethylene glycol)" or "discrete PEG". Each dPEG represents a single compound with a unique, specific, single molecular weight (MW) PEG synthesized de novo from pure, small units (e.g., triethylene glycol or tetraethylene glycol). In our numbering system, we name compounds as dPEG®nn, where nn stands for the number of oxygen atoms in the spacer unit. We do this in order to simplify the naming of the compounds. Our catalog has the exact structure of the single compound.

dPEG compounds and their derivatives are suitable for wide range of therapeutic, diagnostic, and molecular engineering applications.

10218 Biotin-dPEG®3-cyanocobalamin




dPEG selection listing

News - Blog

How to Select Compound Collections for Screening

The more a researcher understands the underlying molecular and cellular mechanisms concerning a particular therapeutic area, the more specialized and narrow should be the compound selection. A large general diversity library is the most appropriate choice when mechanics of interaction and structural characteristics are unknown or not clear.

TimTec library collections present full line of screening products and are characterized according to the following features that may overlap from collection to collection.

  • General screening collections include drug-like and highly diverse selections of different sizes to accommodate assays of different through-put capacity
  • Targeted, directed libraries ActiTarg Series: GPCR Ligands, Kinase Modulators, Protease Inhibitors, Serpins Inhibitors, Potassium Channel Modulators, Nuclear Receptor Ligands
  • Collections built around individual compounds characteristics: Privileged Structures, ActiCom (compounds with known activates), Fragment Based Library, Activity-Aimed sets
  • Nature Inspired - pure natural material and natural product derivatives; plant extracts are also included
  • Custom Sets are based on your own suggested criteria of selection
  • Compound collections size and formatting. There are collections of 2,000cmpds, 5,000cmpds, 10,000cmpds, 25,000cmpds, 50,000cmpd, or even 75-100,000+ compounds. Sample size per compound could vary from low in volume solution aliquots to milligram/micromole amounts in dry form. Libraries could be delivered in 96 and 384-well plates. We will adapt our custom storage solutions using your formatting guidelines

View all
pre-desined TimTec screening collections.

News - Blog

Venusil ASB C18The unique Venusil ASB C18 columns from Agela is specifically designed for the separation of polar compounds from extremely low pH (stable at pH=0.8) to medium pH with high temperature tolerance, up to 100°C.



The stationary phase is end-capped with polar groups, which brings out very strong separation power for polar compounds. High aqueous compatibility makes the Venusil ASB C18 column much better peak shape, retention, and efficiency comparing to other “AQ” columns. The Venusil ASB C18 column also has extremely low bleed and high sensitivity for LC-MS.

Browse dIfferent Venusil columns

“The ASB C18 column outperformed any other column I could get my hands on and I was able to handle the hundreds of COMT compounds I was presented with. ”

McClain Ray T., Ph.D

Merck & Co., Inc

Friday, March 20, 2009


“I tested for my compound and found a better Sensitivity for ASB C18 column than regular luna C18 2.1×50 mm, 5um.”

Xiaorong Liang, Ph.D

Staff Scientist

Covance Laboratories Inc.

Thu, Mar 19, 2009

News - Blog

HILIC flash columnsHILIC flash columns contain ultrapure silica, which has been washed with acid and DI water with narrow particle size control and water content control.

Unique proprietary technology deactivates the silica media for HILIC flash columns to offer significantly improved performance. There is much less undesirable silica surface activities when compared to regular flash columns.

HILIC flash columns are compatible with polar and aqueous solvents, such as methanol, acetonitrile, and water, which makes the solvent handing much easier compared to that for the normal phase separations.

Above all, these columns are designed to last under frequent use: HILIC flash columns have wide applications for compounds that are not soluble in non- or low polar solvents (hexane, IPA and toluene), for highly polar compounds which have too much retention on silica columns, and for a mixture of compounds with a broad range of polarity (non-polar, semi-polar, and high polar) with alternative selectivity.

More Flash Columns

News - Blog

More Articles...

Page 2 of 3


Site Search

Compound Search



Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management