G856-8062 Screening compound: 2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

G856-8062 Screening compound: 2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
G856-8062 Screening compound: 2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8062
2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)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

G856-8062

Molecular Formula

C18H22N6O2S (C18 H22 N6 O2 S)

Compound Name

2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-({6-tert-butyl-7-oxo-7H8H-[124]triazolo[43-b][124]triazin-3-yl}sulfanyl)-N-(35-dimethylphenyl)acetamide

SMILES

CC(C)(C)C1=Nn2c(SCC(Nc3cc(C)cc(C)c3)=O)nnc2NC1=O

InChI

InChI=1S/C18H22N6O2S/c1-10-6-11(2)8-12(7-10)19-13(25)9-27-17-22-21-16-20-15(26)14(18(3,4)5)23-24(16)17/h6-8H,9H2,1-5H3,(H,19,25)(H,20,21,26)

InChI Key

XCACSUCBDVADRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.31

Polar Surface Area

84.450

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G856-8062 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-8062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8062?
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What is the minimum amount of G856-8062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8062
  • 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 G856-8062 available by request