C875-1121 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

C875-1121 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
C875-1121 Screening compound: 2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-1121
2-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)-N-[3-(methylsulfanyl)phenyl]acetamide

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

C875-1121

Molecular Formula

C22H18ClFN4OS2 (C22 H18 ClFN4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(NC(Cn2c(SCc(c(F)ccc3)c3Cl)nc3c2cncc3)=O)c1

InChI

InChI=1S/C22H18ClFN4OS2/c1-30-15-5-2-4-14(10-15)26-21(29)12-28-20-11-25-9-8-19(20)27-22(28)31-13-16-17(23)6-3-7-18(16)24/h2-11H,12-13H2,1H3,(H,26,29)

InChI Key

OOMODCKFAZWDQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.626

Water Solubility, LogSw

-5.93

Polar Surface Area

43.145

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C875-1121 in Drug Discovery

Included in Screening Libraries

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

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 C875-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-1121?
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What is the minimum amount of C875-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-1121
  • 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 C875-1121 available by request