G802-0946 Screening compound: 3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-0946 Screening compound: 3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-0946 Screening compound: 3-{[2-(2,4-dimethylphenyl)-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 G802-0946
3-{[2-(2,4-dimethylphenyl)-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

G802-0946

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

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

IUPAC name

3-{[2-(24-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

CCOc(cc1)ccc1N(C=Cn1c(SCC(c2c(C)cc(C)cc2)=O)nnc11)C1=O

InChI

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

InChI Key

LYJSHEICJFTGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161757

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.53

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

21.70

References: we are preparing a list of scientific research reports with G802-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0946?
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What is the minimum amount of G802-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0946
  • 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 G802-0946 available by request