C781-0041 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0041 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0041 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0041
N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}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

C781-0041

Molecular Formula

C22H19ClN4OS (C22 H19 ClN4 OS)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-({1H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

O=C(c1ccc(CSc2nc(cncc3)c3[nH]2)cc1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C22H19ClN4OS/c23-18-7-3-15(4-8-18)9-12-25-21(28)17-5-1-16(2-6-17)14-29-22-26-19-10-11-24-13-20(19)27-22/h1-8,10-11,13H,9,12,14H2,(H,25,28)(H,26,27)

InChI Key

MRPSZEUYAPQDFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.85

Polar Surface Area

51.753

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C781-0041 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with C781-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0041?
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What is the minimum amount of C781-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0041
  • 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 C781-0041 available by request