C797-1502 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide

C797-1502 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
C797-1502 Screening compound: 4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1502
4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-N-[(5-methylfuran-2-yl)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

C797-1502

Molecular Formula

C27H23FN4O2S (C27 H23 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2ccc(Cn3c(SCc(cc4)ccc4F)nc4c3nccc4)cc2)=O)o1

InChI

InChI=1S/C27H23FN4O2S/c1-18-4-13-23(34-18)15-30-26(33)21-9-5-19(6-10-21)16-32-25-24(3-2-14-29-25)31-27(32)35-17-20-7-11-22(28)12-8-20/h2-14H,15-17H2,1H3,(H,30,33)

InChI Key

TWCRZYCZXLSICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-4.86

Polar Surface Area

52.060

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C797-1502 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C797-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1502
  • 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 C797-1502 available by request