G802-1013 Screening compound: 7-(3,4-difluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G802-1013 Screening compound: 7-(3,4-difluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G802-1013 Screening compound: 7-(3,4-difluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-1013
7-(3,4-difluorophenyl)-3-{[2-(4-methoxyphenyl)-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

G802-1013

Molecular Formula

C20H14F2N4O3S (C20 H14 F2 N4 O3 S)

Compound Name

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

IUPAC name

7-(34-difluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

COc(cc1)ccc1C(CSc1nnc2n1C=CN(c(cc1)cc(F)c1F)C2=O)=O

InChI

InChI=1S/C20H14F2N4O3S/c1-29-14-5-2-12(3-6-14)17(27)11-30-20-24-23-18-19(28)25(8-9-26(18)20)13-4-7-15(21)16(22)10-13/h2-10H,11H2,1H3

InChI Key

VNEGQLPJXNKHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.42

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

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.76

Polar Surface Area

59.493

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G802-1013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G802-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-1013?
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What is the minimum amount of G802-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-1013
  • 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 G802-1013 available by request