C875-0975 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridine

C875-0975 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridine
C875-0975 Screening compound: 3-[(2-chloro-6-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H-imidazo[4,5-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0975
3-[(2-chloro-6-fluorophenyl)methyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

C875-0975

Molecular Formula

C21H14ClF4N3S (C21 H14 ClF4 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(CSc2nc(ccnc3)c3n2Cc(c(F)ccc2)c2Cl)c1)(F)F

InChI

InChI=1S/C21H14ClF4N3S/c22-16-5-2-6-17(23)15(16)11-29-19-10-27-8-7-18(19)28-20(29)30-12-13-3-1-4-14(9-13)21(24,25)26/h1-10H,11-12H2

InChI Key

LPXYJPRVSSCPHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.211

Distribution Coefficient, logD

6.209

Water Solubility, LogSw

-6.66

Polar Surface Area

19.995

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C875-0975 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C875-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0975?
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What is the minimum amount of C875-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0975
  • 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 C875-0975 available by request