G802-0691 Screening compound: 7-(3-methoxyphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0691 Screening compound: 7-(3-methoxyphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0691 Screening compound: 7-(3-methoxyphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0691
7-(3-methoxyphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]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

G802-0691

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

7-(3-methoxyphenyl)-3-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

7-(3-methoxyphenyl)-3-{[2-oxo-2-(245-trimethylphenyl)ethyl]sulfanyl}-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

Cc(c(C)c1)cc(C)c1C(CSc1nnc2n1C=CN(c1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C23H22N4O3S/c1-14-10-16(3)19(11-15(14)2)20(28)13-31-23-25-24-21-22(29)26(8-9-27(21)23)17-6-5-7-18(12-17)30-4/h5-12H,13H2,1-4H3

InChI Key

RBOQPGPWEIHHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-4.00

Polar Surface Area

59.493

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G802-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0691?
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What is the minimum amount of G802-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0691
  • 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 G802-0691 available by request