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3D FL Fragments Library

Headliner

4,500 Compounds

Fragment-based drug discovery (FBDD) has become an efficient methodology toward identification of small-molecule leads . Fragment libraries are of great interest in both industry and academia.
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 last several years. Furthermore, 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. According to their findings and our further observations, 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

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

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