C797-0344 Screening compound: methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-6-carboxylate

C797-0344 Screening compound: methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-6-carboxylate
C797-0344 Screening compound: methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0344
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-6-carboxylate

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

C797-0344

Molecular Formula

C16H13FN2O2S (C16 H13 FN2 O2 S)

Compound Name

methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-6-carboxylate

IUPAC name

methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole-6-carboxylate

SMILES

COC(c(cc1)cc([nH]2)c1nc2SCc(cc1)ccc1F)=O

InChI

InChI=1S/C16H13FN2O2S/c1-21-15(20)11-4-7-13-14(8-11)19-16(18-13)22-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)

InChI Key

ZDSUJBJSWJFXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.90

Polar Surface Area

39.154

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C797-0344 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C797-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0344?
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What is the minimum amount of C797-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0344
  • 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 C797-0344 available by request