C797-0106 Screening compound: N-(2,3-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0106 Screening compound: N-(2,3-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0106 Screening compound: N-(2,3-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0106
N-(2,3-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C797-0106

Molecular Formula

C29H31FN4OS (C29 H31 FN4 OS)

Compound Name

N-(2,3-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-(23-dimethylcyclohexyl)-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzamide

SMILES

CC(CCC1)C(C)C1NC(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)=O

InChI

InChI=1S/C29H31FN4OS/c1-19-4-3-5-25(20(19)2)32-28(35)23-10-6-22(7-11-23)18-36-29-33-26-14-15-31-16-27(26)34(29)17-21-8-12-24(30)13-9-21/h6-16,19-20,25H,3-5,17-18H2,1-2H3,(H,32,35)

InChI Key

BUGURIWFFRBWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-5.07

Polar Surface Area

44.524

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.50

C797-0106 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0106?
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What is the minimum amount of C797-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0106
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C797-0106 available by request