G802-0590 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0590 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0590 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0590
7-(3,4-dimethylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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

G802-0590

Molecular Formula

C22H20N4O2S (C22 H20 N4 O2 S)

Compound Name

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

IUPAC name

7-(34-dimethylphenyl)-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

Cc(cc1)ccc1C(CSc1nnc2n1C=CN(c1cc(C)c(C)cc1)C2=O)=O

InChI

InChI=1S/C22H20N4O2S/c1-14-4-7-17(8-5-14)19(27)13-29-22-24-23-20-21(28)25(10-11-26(20)22)18-9-6-15(2)16(3)12-18/h4-12H,13H2,1-3H3

InChI Key

SNSOIUXXEGZJBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.68

Polar Surface Area

51.949

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G802-0590 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G802-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0590?
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What is the minimum amount of G802-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0590
  • 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 G802-0590 available by request