C878-0722 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide

C878-0722 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
C878-0722 Screening compound: 4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0722
4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)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

C878-0722

Molecular Formula

C28H25N5OS (C28 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(SCc(cc3)ccc3C(NCc3ncccc3)=O)nc3c2cncc3)cccc1

InChI

InChI=1S/C28H25N5OS/c1-20-6-2-3-7-23(20)18-33-26-17-29-15-13-25(26)32-28(33)35-19-21-9-11-22(12-10-21)27(34)31-16-24-8-4-5-14-30-24/h2-15,17H,16,18-19H2,1H3,(H,31,34)

InChI Key

SNSHGBNSHSMERG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.61

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

4.907

Distribution Coefficient, logD

4.890

Water Solubility, LogSw

-4.38

Polar Surface Area

53.952

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C878-0722 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C878-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0722?
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What is the minimum amount of C878-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0722
  • 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 C878-0722 available by request