Y080-0359 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

Y080-0359 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
Y080-0359 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0359
2-{[(2,5-dimethylphenyl)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

Y080-0359

Molecular Formula

C16H16N2S (C16 H16 N2 S)

Compound Name

2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[(25-dimethylphenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc1cc(CSc2nc(cccc3)c3[nH]2)c(C)cc1

InChI

InChI=1S/C16H16N2S/c1-11-7-8-12(2)13(9-11)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)

InChI Key

IXFISWKOKSTFCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03551797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.38

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

4.683

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.39

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y080-0359 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y080-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0359?
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What is the minimum amount of Y080-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0359
  • 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 Y080-0359 available by request