5468-5333 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

5468-5333 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
5468-5333 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-5333
2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

5468-5333

Molecular Formula

C14H11ClN2S (C14 H11 ClN2 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Clc1c(CSc2nc(cccc3)c3[nH]2)cccc1

InChI

InChI=1S/C14H11ClN2S/c15-11-6-2-1-5-10(11)9-18-14-16-12-7-3-4-8-13(12)17-14/h1-8H,9H2,(H,16,17)

InChI Key

ZNOFJEVAANDKBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.77

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.23

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5468-5333 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 5468-5333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-5333?
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What is the minimum amount of 5468-5333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-5333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-5333
  • 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 5468-5333 available by request