C875-0752 Screening compound: 2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-1,3-oxazole

C875-0752 Screening compound: 2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-1,3-oxazole
C875-0752 Screening compound: 2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C875-0752
2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-1,3-oxazole

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

C875-0752

Molecular Formula

C25H21ClN4OS (C25 H21 ClN4 OS)

Compound Name

2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-1,3-oxazole

IUPAC name

2-(2-chlorophenyl)-5-methyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-13-oxazole

SMILES

Cc1c(Cn2c(SCc3c(C)cccc3)nc3c2cncc3)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C25H21ClN4OS/c1-16-7-3-4-8-18(16)15-32-25-29-21-11-12-27-13-23(21)30(25)14-22-17(2)31-24(28-22)19-9-5-6-10-20(19)26/h3-13H,14-15H2,1-2H3

InChI Key

HHPJLDYHJQXMNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.592

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-6.18

Polar Surface Area

38.117

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C875-0752 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C875-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C875-0752?
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What is the minimum amount of C875-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C875-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C875-0752
  • 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 C875-0752 available by request