G856-8032 Screening compound: N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide

G856-8032 Screening compound: N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide
G856-8032 Screening compound: N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8032
N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide

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

G856-8032

Molecular Formula

C21H20N6O2S (C21 H20 N6 O2 S)

Compound Name

N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-phenylacetamide

IUPAC name

N-methyl-2-({6-[(4-methylphenyl)methyl]-7-oxo-7H8H-[124]triazolo[43-b][124]triazin-3-yl}sulfanyl)-N-phenylacetamide

SMILES

Cc1ccc(CC2=Nn3c(SCC(N(C)c4ccccc4)=O)nnc3NC2=O)cc1

InChI

InChI=1S/C21H20N6O2S/c1-14-8-10-15(11-9-14)12-17-19(29)22-20-23-24-21(27(20)25-17)30-13-18(28)26(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,23,29)

InChI Key

LQBPQCITBCPIFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.87

Polar Surface Area

76.046

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G856-8032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8032?
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What is the minimum amount of G856-8032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8032
  • 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 G856-8032 available by request