G856-8004 Screening compound: 2-({6-benzyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

G856-8004 Screening compound: 2-({6-benzyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
G856-8004 Screening compound: 2-({6-benzyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8004
2-({6-benzyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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

G856-8004

Molecular Formula

C20H17ClN6O2S (C20 H17 ClN6 O2 S)

Compound Name

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

IUPAC name

2-({6-benzyl-7-oxo-7H8H-[124]triazolo[43-b][124]triazin-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

SMILES

Cc(c(NC(CSc1nnc(N2)n1N=C(Cc1ccccc1)C2=O)=O)ccc1)c1Cl

InChI

InChI=1S/C20H17ClN6O2S/c1-12-14(21)8-5-9-15(12)22-17(28)11-30-20-25-24-19-23-18(29)16(26-27(19)20)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,22,28)(H,23,24,29)

InChI Key

AFTFJSORZPBFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.83

Polar Surface Area

83.384

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G856-8004 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-8004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8004?
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What is the minimum amount of G856-8004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8004
  • 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 G856-8004 available by request