5468-5334 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

5468-5334 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
5468-5334 Screening compound: 2-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-5334
2-{[(3-methylphenyl)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

5468-5334

Molecular Formula

C15H14N2S (C15 H14 N2 S)

Compound Name

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

IUPAC name

2-{[(3-methylphenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc1cccc(CSc2nc(cccc3)c3[nH]2)c1

InChI

InChI=1S/C15H14N2S/c1-11-5-4-6-12(9-11)10-18-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)

InChI Key

NHKYIEMLFDDAPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.36

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

4.102

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.28

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

13.30

5468-5334 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5468-5334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-5334?
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What is the minimum amount of 5468-5334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-5334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-5334
  • 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 5468-5334 available by request