C781-0220 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0220 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0220 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0220
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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

C781-0220

Molecular Formula

C28H31ClN6OS (C28 H31 ClN6 OS)

Compound Name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-({1H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(c2ccc(CSc3nc(cncc4)c4[nH]3)cc2)=O)CC1

InChI

InChI=1S/C28H31ClN6OS/c1-20-3-8-23(29)17-26(20)35-15-13-34(14-16-35)12-2-10-31-27(36)22-6-4-21(5-7-22)19-37-28-32-24-9-11-30-18-25(24)33-28/h3-9,11,17-18H,2,10,12-16,19H2,1H3,(H,31,36)(H,32,33)

InChI Key

MIXKTKBQAVTTGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-4.30

Polar Surface Area

58.695

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C781-0220 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C781-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0220?
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What is the minimum amount of C781-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0220
  • 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 C781-0220 available by request