G802-0954 Screening compound: 3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0954 Screening compound: 3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0954 Screening compound: 3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0954
3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-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

G802-0954

Molecular Formula

C21H17ClN4O3S (C21 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C=Cn1c(SCC(c(cccc2)c2Cl)=O)nnc11)C1=O

InChI

InChI=1S/C21H17ClN4O3S/c1-2-29-15-9-7-14(8-10-15)25-11-12-26-19(20(25)28)23-24-21(26)30-13-18(27)16-5-3-4-6-17(16)22/h3-12H,2,13H2,1H3

InChI Key

HAUNUXUNZZNUAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

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

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.65

Polar Surface Area

59.073

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G802-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0954?
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What is the minimum amount of G802-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0954
  • 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 G802-0954 available by request