C797-0666 Screening compound: N-cyclohexyl-4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0666 Screening compound: N-cyclohexyl-4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0666 Screening compound: N-cyclohexyl-4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0666
N-cyclohexyl-4-[({3-[(2-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

C797-0666

Molecular Formula

C27H27FN4OS (C27 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cccc2)c2F)cc1)NC1CCCCC1

InChI

InChI=1S/C27H27FN4OS/c28-23-9-5-4-6-21(23)17-32-25-16-29-15-14-24(25)31-27(32)34-18-19-10-12-20(13-11-19)26(33)30-22-7-2-1-3-8-22/h4-6,9-16,22H,1-3,7-8,17-18H2,(H,30,33)

InChI Key

OLEQKDXYTWRGIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

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

5.671

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.56

Polar Surface Area

44.134

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C797-0666 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0666?
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What is the minimum amount of C797-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0666
  • 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 C797-0666 available by request