C797-1546 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-1546 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-1546 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1546
N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)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

C797-1546

Molecular Formula

C27H26N6O2S (C27 H26 N6 O2 S)

Compound Name

N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzamide

IUPAC name

N-[2-(1H-imidazol-4-yl)ethyl]-4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}sulfanyl)methyl]benzamide

SMILES

COc1ccc(Cn2c(SCc(cc3)ccc3C(NCCc3c[nH]cn3)=O)nc3c2nccc3)cc1

InChI

InChI=1S/C27H26N6O2S/c1-35-23-10-6-19(7-11-23)16-33-25-24(3-2-13-29-25)32-27(33)36-17-20-4-8-21(9-5-20)26(34)30-14-12-22-15-28-18-31-22/h2-11,13,15,18H,12,14,16-17H2,1H3,(H,28,31)(H,30,34)

InChI Key

ORFHLEDSUGTUIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.43

Polar Surface Area

73.976

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C797-1546 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1546
  • 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 C797-1546 available by request