C781-0219 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0219 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0219 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0219
N-[2-(2,5-dimethoxyphenyl)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

C781-0219

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

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

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-4-({1H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

COc(cc1)cc(CCNC(c2ccc(CSc3nc(cncc4)c4[nH]3)cc2)=O)c1OC

InChI

InChI=1S/C24H24N4O3S/c1-30-19-7-8-22(31-2)18(13-19)9-12-26-23(29)17-5-3-16(4-6-17)15-32-24-27-20-10-11-25-14-21(20)28-24/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

WUZNOBXSQMICIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.24

Polar Surface Area

66.927

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C781-0219 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C781-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0219?
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What is the minimum amount of C781-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0219
  • 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 C781-0219 available by request