fbpx

3D-Fragment Library

4,063 Compounds

ChemDiv’s 3D-Fragment Library contains 4,063 compounds.

Fragment-based drug discovery (FBDD) has become an efficient methodology toward the identification of small-molecule leads. The majority of commercially available fragment libraries are predominantly populated with flat (hetero)aromatic chemotypes. On the other hand, nature is three-dimensional and therefore recognizes small molecules in a complementary 3D-fashion, and so drugs are likely to be more selective for their targets if they are three-dimensional too.

Compounds with diverse and well-developed 3D-shapes have become the most attractive ones on the market of screening compounds for HTS for the last several years. Fsp3 parameter has become one of the most important criterion of HTS libraries value since it was introduced in 2009 by Frank Lovering et.al as a measure of three-dimensionality and therefore complexity for libraries members.

Scaffold/molecule saturation may benefit:
More diversity;
More complexity;
Access to greater chemical space;
Improved phys-chem parameters (logP; PSA; water solubility etc.);
More opportunity to reduce scaffold MW;
More opportunity for further scaffold modification;
Natural product-likeness;
Better affinity to target proteins and greater selectivity;
Easy access to IP-clean field.

Medicinal and Computational Chemistry Dept., ChemDiv, Inc.
12760 High Bluff Dr, San Diego, CA, 92130
Phone: + 1 916 234 0888
Fax: +1 858 794 4931
Email: ChemDiv@chemdiv.com

eShop

You can buy this library or customize your own library from our discovery collection of 1 600 000 compounds and 60 000 building blocks.

Downloads

X
Send a message
Request a call

    * Required fields

    By submitting this form you confirm that you have read and accepted our privacy policy. Your data will be used exclusively for this purpose.

      * Required fields

      By submitting this form you confirm that you have read and accepted our privacy policy. Your data will be used exclusively for this purpose.

      X