G856-8049 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-methylphenyl)acetamide

G856-8049 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-methylphenyl)acetamide
G856-8049 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-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8049
2-({6-tert-butyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)-N-(3-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

G856-8049

Molecular Formula

C17H20N6O2S (C17 H20 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-methylphenyl)acetamide

IUPAC name

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

SMILES

CC(C)(C)C1=Nn2c(SCC(Nc3cc(C)ccc3)=O)nnc2NC1=O

InChI

InChI=1S/C17H20N6O2S/c1-10-6-5-7-11(8-10)18-12(24)9-26-16-21-20-15-19-14(25)13(17(2,3)4)22-23(15)16/h5-8H,9H2,1-4H3,(H,18,24)(H,19,20,25)

InChI Key

FDGZCUKFEYBLFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

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

2.858

Distribution Coefficient, logD

2.858

Water Solubility, LogSw

-3.20

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

35.30

G856-8049 in Drug Discovery

Included in Screening Libraries

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 G856-8049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8049?
Check Price and Availability of G856-8049, 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 G856-8049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8049
  • 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 G856-8049 available by request