C875-1142 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyphenyl)butanamide

C875-1142 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyphenyl)butanamide
C875-1142 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-1142
2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-(2-methoxyphenyl)butanamide

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

C875-1142

Molecular Formula

C24H22ClFN4O2S (C24 H22 ClFN4 O2 S)

Compound Name

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

IUPAC name

2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)-N-(2-methoxyphenyl)butanamide

SMILES

CCC(C(Nc(cccc1)c1OC)=O)n1c(SCc(c(F)ccc2)c2Cl)nc2c1cncc2

InChI

InChI=1S/C24H22ClFN4O2S/c1-3-20(23(31)28-19-9-4-5-10-22(19)32-2)30-21-13-27-12-11-18(21)29-24(30)33-14-15-16(25)7-6-8-17(15)26/h4-13,20H,3,14H2,1-2H3,(H,28,31)/t20-/m0/s1

InChI Key

CMPOTQFTKTXYTD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14802700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-5.89

Polar Surface Area

50.571

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C875-1142 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C875-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-1142?
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What is the minimum amount of C875-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-1142
  • 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 C875-1142 available by request