C797-0050 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

C797-0050 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide
C797-0050 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0050
N-[2-(3,4-diethoxyphenyl)ethyl]-4-({3H-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

C797-0050

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-4-({3H-imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)benzamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-({3H-imidazo[45-c]pyridin-2-ylsulfanyl}methyl)benzamide

SMILES

CCOc(ccc(CCNC(c1ccc(CSc2nc(ccnc3)c3[nH]2)cc1)=O)c1)c1OCC

InChI

InChI=1S/C26H28N4O3S/c1-3-32-23-10-7-18(15-24(23)33-4-2)11-14-28-25(31)20-8-5-19(6-9-20)17-34-26-29-21-12-13-27-16-22(21)30-26/h5-10,12-13,15-16H,3-4,11,14,17H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

ISKDBWXEYNRZNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.84

Polar Surface Area

66.173

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C797-0050 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Lipid Metabolism Library (9174 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0050?
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What is the minimum amount of C797-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0050
  • 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 C797-0050 available by request