C797-0604 Screening compound: N-cyclohexyl-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0604 Screening compound: N-cyclohexyl-4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0604 Screening compound: N-cyclohexyl-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 C797-0604
N-cyclohexyl-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

C797-0604

Molecular Formula

C27H27FN4OS (C27 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cc2)ccc2F)cc1)NC1CCCCC1

InChI

InChI=1S/C27H27FN4OS/c28-22-12-8-19(9-13-22)17-32-25-16-29-15-14-24(25)31-27(32)34-18-20-6-10-21(11-7-20)26(33)30-23-4-2-1-3-5-23/h6-16,23H,1-5,17-18H2,(H,30,33)

InChI Key

IWRDIIOZKKWHBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798217

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

5.422

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.41

Polar Surface Area

44.134

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C797-0604 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0604?
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What is the minimum amount of C797-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0604
  • 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 C797-0604 available by request