C797-1557 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide

C797-1557 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide
C797-1557 Screening compound: 4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1557
4-{[2-(benzylsulfanyl)-3H-imidazo[4,5-b]pyridin-3-yl]methyl}-N-[(4-ethoxyphenyl)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

C797-1557

Molecular Formula

C30H28N4O2S (C30 H28 N4 O2 S)

Compound Name

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

IUPAC name

4-{[2-(benzylsulfanyl)-3H-imidazo[45-b]pyridin-3-yl]methyl}-N-[(4-ethoxyphenyl)methyl]benzamide

SMILES

CCOc1ccc(CNC(c2ccc(Cn3c(SCc4ccccc4)nc4c3nccc4)cc2)=O)cc1

InChI

InChI=1S/C30H28N4O2S/c1-2-36-26-16-12-22(13-17-26)19-32-29(35)25-14-10-23(11-15-25)20-34-28-27(9-6-18-31-28)33-30(34)37-21-24-7-4-3-5-8-24/h3-18H,2,19-21H2,1H3,(H,32,35)

InChI Key

CANBXGICBXCZFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798779

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

5.394

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.31

Polar Surface Area

51.921

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C797-1557 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C797-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1557
  • 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 C797-1557 available by request