Beyond the Flatland Library sp3 enriched

Description

ChemDiv’s Beyond the Flatland Library contains 87,621 compounds.

“Escape from Flatland” – New Approach for Scaffold & Library Design. Fsp3 = number of sp3-hybridized carbons/ total carbon count.

The increase of scaffold/molecule saturation leads to:
• More diverse set of compounds
• More highly complex molecules
• Natural product-likeness
• Access to greater chemical space
• Better complement to the spatial subtleties of target proteins
• 3D-dimensionality may result in greater selectivity
• Higher water solubility
• Better phys-chemical parameters (logP and PSA)
• Very low increase of MW
• New stereo-centers

As result: Faster transition of compound from discovery to drugs.

Library Composition

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Publications

• Tsaloev A., Ilyin A., Tkachenko S., Ivachtchenko A., Kravchenko D., Krasavin M. Cyclic products of the Ugi reaction of aldehydo and keto carboxylic acids: chemoselective modification. Tetrahedron Letters. 2011, 52: 1800–1803.
• Kysil V., Khvat A., Tsirulnikov S., Tkachenko S, Williams C., Churakova M., Ivachtchenko A. General Multicomponent Strategy for the Synthesis of2-Amino-1,4-diazaheterocycles: Scope, Limitations, and Utility. European Journal of Organic Chemistry. 2010; 1525–1543.
• Kysil V.M., Khvat A., Tsirulnikov S., Tkachenko S., Ivachtchenko A. Multicomponent approach to unique 1,4-diazepine-2-amines. TetrahedronLetters. 2009; 50(24): 2854-2856.
• Balakin K.V., Ivanenkov Y.A., Tkachenko S.E., Kiselyov A.S., Ivachtchenko A.V. Regulators of chemokine receptor activity as promising anticancer therapeutics. Current Cancer Drug Targets.2008; 8(4): 299-34.
• Kiselyov A.S., Tkachenko S.E., Balakin K.V., Ivachtchenko A.V. Small-molecule modulators of Hh and Wnt signaling pathways. Expert Opinion on Therapeutic Targets. 2007; 11(8): 1087-1101.
• Savchuk N.P., Tkachenko S.E., Balakin K.V. Design of pGPCR-targeted Libraries. In Rognan D., ed. Ligand Design for G Protein-coupled Receptors.Methods and Principles in Medicinal Chemistry (Volume 30). Weinheim: Wiley VCH. 2006, pp. 137-164.
• Kysil V., Tkachenko S., Khvat A., Williams C., Tsirulnikov S., Churakova M., Ivachtchenko A. TMSCl-Promoted Isocyanide-Based MCR of Ethylenediamines: an Efficient Assembling of 2-Aminopyrazine Core. Tetrahedron Letters, 2007; 48(36): 6239-6244.