C781-0204 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C781-0204 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C781-0204 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-4-({1H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C781-0204
N-{2-[ethyl(phenyl)amino]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

C781-0204

Molecular Formula

C24H25N5OS (C24 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCNC(c1ccc(CSc2nc(cncc3)c3[nH]2)cc1)=O)c1ccccc1

InChI

InChI=1S/C24H25N5OS/c1-2-29(20-6-4-3-5-7-20)15-14-26-23(30)19-10-8-18(9-11-19)17-31-24-27-21-12-13-25-16-22(21)28-24/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)(H,27,28)

InChI Key

XXXQYGPIIKVQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.10

Polar Surface Area

54.743

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C781-0204 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 C781-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C781-0204?
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What is the minimum amount of C781-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C781-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C781-0204
  • 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 C781-0204 available by request