C797-1545 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(2-phenylethyl)benzamide

C797-1545 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(2-phenylethyl)benzamide
C797-1545 Screening compound: 4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1545
4-[({3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]-N-(2-phenylethyl)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

C797-1545

Molecular Formula

C30H28N4O2S (C30 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn2c(SCc(cc3)ccc3C(NCCc3ccccc3)=O)nc3c2nccc3)cc1

InChI

InChI=1S/C30H28N4O2S/c1-36-26-15-11-23(12-16-26)20-34-28-27(8-5-18-31-28)33-30(34)37-21-24-9-13-25(14-10-24)29(35)32-19-17-22-6-3-2-4-7-22/h2-16,18H,17,19-21H2,1H3,(H,32,35)

InChI Key

JEVBFJYYQYBBTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-4.59

Polar Surface Area

52.183

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C797-1545 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1545?
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What is the minimum amount of C797-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1545
  • 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 C797-1545 available by request