C797-1077 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)benzamide

C797-1077 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)benzamide
C797-1077 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1077
4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)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

C797-1077

Molecular Formula

C31H30N4OS (C31 H30 N4 OS)

Compound Name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)benzamide

IUPAC name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-N-(2-phenylpropyl)benzamide

SMILES

CC(CNC(c1ccc(Cn2c(SCc3cc(C)ccc3)nc3c2cncc3)cc1)=O)c1ccccc1

InChI

InChI=1S/C31H30N4OS/c1-22-7-6-8-25(17-22)21-37-31-34-28-15-16-32-19-29(28)35(31)20-24-11-13-27(14-12-24)30(36)33-18-23(2)26-9-4-3-5-10-26/h3-17,19,23H,18,20-21H2,1-2H3,(H,33,36)/t23-/m0/s1

InChI Key

OFWOKJXDEWCVLL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14798536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.925

Distribution Coefficient, logD

6.921

Water Solubility, LogSw

-5.48

Polar Surface Area

44.409

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

C797-1077 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1077?
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What is the minimum amount of C797-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1077
  • 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 C797-1077 available by request