C797-0478 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine

C797-0478 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine
C797-0478 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0478
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine

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

C797-0478

Molecular Formula

C21H17ClFN3OS (C21 H17 ClFN3 OS)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-c]pyridine

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]-3H-imidazo[45-c]pyridine

SMILES

COc1ccc(Cn2c(SCc(c(F)ccc3)c3Cl)nc3c2cncc3)cc1

InChI

InChI=1S/C21H17ClFN3OS/c1-27-15-7-5-14(6-8-15)12-26-20-11-24-10-9-19(20)25-21(26)28-13-16-17(22)3-2-4-18(16)23/h2-11H,12-13H2,1H3

InChI Key

GROUWDUUFDFCDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

5.571

Water Solubility, LogSw

-6.02

Polar Surface Area

27.539

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C797-0478 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C797-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0478?
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What is the minimum amount of C797-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0478
  • 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 C797-0478 available by request