G802-0813 Screening compound: 7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0813 Screening compound: 7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0813 Screening compound: 7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0813
7-(3-chloro-2-methylphenyl)-3-{[2-(4-ethoxyphenyl)-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

G802-0813

Molecular Formula

C22H19ClN4O3S (C22 H19 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(CSc1nnc2n1C=CN(c1cccc(Cl)c1C)C2=O)=O

InChI

InChI=1S/C22H19ClN4O3S/c1-3-30-16-9-7-15(8-10-16)19(28)13-31-22-25-24-20-21(29)26(11-12-27(20)22)18-6-4-5-17(23)14(18)2/h4-12H,3,13H2,1-2H3

InChI Key

KQEFLFSBDSQNQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.64

Polar Surface Area

58.772

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

-9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G802-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0813?
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What is the minimum amount of G802-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0813
  • 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 G802-0813 available by request