C878-0741 Screening compound: N-(2,3-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0741 Screening compound: N-(2,3-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0741 Screening compound: N-(2,3-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0741
N-(2,3-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

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

C878-0741

Molecular Formula

C30H28N4OS (C30 H28 N4 OS)

Compound Name

N-(2,3-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-(23-dimethylphenyl)-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]benzamide

SMILES

Cc1cccc(NC(c2ccc(CSc3nc(ccnc4)c4n3Cc3c(C)cccc3)cc2)=O)c1C

InChI

InChI=1S/C30H28N4OS/c1-20-8-6-10-26(22(20)3)32-29(35)24-13-11-23(12-14-24)19-36-30-33-27-15-16-31-17-28(27)34(30)18-25-9-5-4-7-21(25)2/h4-17H,18-19H2,1-3H3,(H,32,35)

InChI Key

BJTOJVNTILGDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.980

Distribution Coefficient, logD

6.962

Water Solubility, LogSw

-5.54

Polar Surface Area

42.389

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C878-0741 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C878-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0741?
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What is the minimum amount of C878-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0741
  • 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 C878-0741 available by request