G802-0535 Screening compound: N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)acetamide

G802-0535 Screening compound: N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)acetamide
G802-0535 Screening compound: N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G802-0535
N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)acetamide

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

G802-0535

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}sulfanyl)acetamide

IUPAC name

N-[(4-methylphenyl)methyl]-2-({8-oxo-7-phenyl-7H8H-[124]triazolo[43-a]pyrazin-3-yl}sulfanyl)acetamide

SMILES

Cc1ccc(CNC(CSc2nnc3n2C=CN(c2ccccc2)C3=O)=O)cc1

InChI

InChI=1S/C21H19N5O2S/c1-15-7-9-16(10-8-15)13-22-18(27)14-29-21-24-23-19-20(28)25(11-12-26(19)21)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,22,27)

InChI Key

OUXPXGHHYDZKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27161467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.18

Polar Surface Area

63.174

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G802-0535 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G802-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G802-0535?
Check Price and Availability of G802-0535, 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 G802-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G802-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G802-0535
  • 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 G802-0535 available by request