C797-1508 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C797-1508 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
C797-1508 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1508
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]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

C797-1508

Molecular Formula

C26H23FN6OS (C26 H23 FN6 OS)

Compound Name

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

IUPAC name

4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2nccc3)cc1)NCCc1cnc[nH]1

InChI

InChI=1S/C26H23FN6OS/c27-21-9-5-19(6-10-21)16-35-26-32-23-2-1-12-29-24(23)33(26)15-18-3-7-20(8-4-18)25(34)30-13-11-22-14-28-17-31-22/h1-10,12,14,17H,11,13,15-16H2,(H,28,31)(H,30,34)

InChI Key

LZBXUAWHJGTCNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.19

Polar Surface Area

66.432

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C797-1508 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C797-1508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1508?
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What is the minimum amount of C797-1508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1508
  • 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 C797-1508 available by request