G802-0537 Screening compound: 3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0537 Screening compound: 3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0537 Screening compound: 3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0537
3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

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

G802-0537

Molecular Formula

C19H16N4OS (C19 H16 N4 OS)

Compound Name

3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

3-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

Cc1cccc(CSc2nnc3n2C=CN(c2ccccc2)C3=O)c1

InChI

InChI=1S/C19H16N4OS/c1-14-6-5-7-15(12-14)13-25-19-21-20-17-18(24)22(10-11-23(17)19)16-8-3-2-4-9-16/h2-12H,13H2,1H3

InChI Key

QPGSAXMYYUITQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.15

Polar Surface Area

38.702

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G802-0537 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G802-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0537?
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What is the minimum amount of G802-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0537
  • 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 G802-0537 available by request