G856-8447 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

G856-8447 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
G856-8447 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8447
N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-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

G856-8447

Molecular Formula

C17H16F3N5O3S (C17 H16 F3 N5 O3 S)

Compound Name

N-[2-(trifluoromethyl)phenyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-2-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc2c(C(F)(F)F)cccc2)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C17H16F3N5O3S/c1-23-13-12(14(27)25(3)16(28)24(13)2)22-15(23)29-8-11(26)21-10-7-5-4-6-9(10)17(18,19)20/h4-7H,8H2,1-3H3,(H,21,26)

InChI Key

HUACSTSHIKHRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.46

Polar Surface Area

66.491

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G856-8447 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 G856-8447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8447?
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What is the minimum amount of G856-8447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8447
  • 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 G856-8447 available by request