C878-0170 Screening compound: N-methyl-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C878-0170 Screening compound: N-methyl-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C878-0170 Screening compound: N-methyl-4-[({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C878-0170
N-methyl-4-[({3-[(4-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

C878-0170

Molecular Formula

C23H22N4OS (C23 H22 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(SCc(cc3)ccc3C(NC)=O)nc3c2cncc3)cc1

InChI

InChI=1S/C23H22N4OS/c1-16-3-5-17(6-4-16)14-27-21-13-25-12-11-20(21)26-23(27)29-15-18-7-9-19(10-8-18)22(28)24-2/h3-13H,14-15H2,1-2H3,(H,24,28)

InChI Key

JOFMVHCURAFOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.66

Polar Surface Area

44.831

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C878-0170 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C878-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C878-0170?
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What is the minimum amount of C878-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C878-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C878-0170
  • 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 C878-0170 available by request