G802-0601 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0601 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0601 Screening compound: 7-(3,4-dimethylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0601
7-(3,4-dimethylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-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

G802-0601

Molecular Formula

C24H21N5O2S (C24 H21 N5 O2 S)

Compound Name

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

IUPAC name

7-(34-dimethylphenyl)-3-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

Cc1c(C(CSc2nnc3n2C=CN(c2cc(C)c(C)cc2)C3=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H21N5O2S/c1-14-8-9-17(12-15(14)2)28-10-11-29-22(23(28)31)26-27-24(29)32-13-20(30)21-16(3)25-19-7-5-4-6-18(19)21/h4-12,25H,13H2,1-3H3

InChI Key

QNSYWDXQNKGTTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-4.12

Polar Surface Area

61.875

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G802-0601 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 G802-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0601?
Check Price and Availability of G802-0601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G802-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0601
  • 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 G802-0601 available by request