G802-0958 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile

G802-0958 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
G802-0958 Screening compound: 2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0958
2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile

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

G802-0958

Molecular Formula

C15H13N5O2S (C15 H13 N5 O2 S)

Compound Name

2-{[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile

IUPAC name

2-{[7-(4-ethoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]sulfanyl}acetonitrile

SMILES

CCOc(cc1)ccc1N(C=Cn1c(SCC#N)nnc11)C1=O

InChI

InChI=1S/C15H13N5O2S/c1-2-22-12-5-3-11(4-6-12)19-8-9-20-13(14(19)21)17-18-15(20)23-10-7-16/h3-6,8-9H,2,10H2,1H3

InChI Key

RQSYDFVNMXYYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.693

Distribution Coefficient, logD

0.693

Water Solubility, LogSw

-1.88

Polar Surface Area

63.589

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G802-0958 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G802-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0958?
Check Price and Availability of G802-0958, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G802-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0958
  • 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 G802-0958 available by request