C797-0811 Screening compound: N-cycloheptyl-4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0811 Screening compound: N-cycloheptyl-4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0811 Screening compound: N-cycloheptyl-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 C797-0811
N-cycloheptyl-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

C797-0811

Molecular Formula

C28H29FN4OS (C28 H29 FN4 OS)

Compound Name

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

IUPAC name

N-cycloheptyl-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)NC1CCCCCC1

InChI

InChI=1S/C28H29FN4OS/c29-24-10-6-5-7-22(24)18-33-26-17-30-16-15-25(26)32-28(33)35-19-20-11-13-21(14-12-20)27(34)31-23-8-3-1-2-4-9-23/h5-7,10-17,23H,1-4,8-9,18-19H2,(H,31,34)

InChI Key

DKXPOYMBQUMHAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

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

6.167

Distribution Coefficient, logD

6.165

Water Solubility, LogSw

-5.68

Polar Surface Area

44.465

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C797-0811 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)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C797-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0811?
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What is the minimum amount of C797-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0811
  • 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 C797-0811 available by request