G856-6841 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamide

G856-6841 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamide
G856-6841 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6841
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-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

G856-6841

Molecular Formula

C20H13ClF3N5O2S (C20 H13 ClF3 N5 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({7-oxo-5-phenyl-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nnc(N2)n1C(c1ccccc1)=CC2=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C20H13ClF3N5O2S/c21-13-7-6-12(20(22,23)24)8-14(13)25-17(31)10-32-19-28-27-18-26-16(30)9-15(29(18)19)11-4-2-1-3-5-11/h1-9H,10H2,(H,25,31)(H,26,27,30)

InChI Key

QXUNINRZSGDXOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06714209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.38

Polar Surface Area

74.286

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G856-6841 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G856-6841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6841?
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What is the minimum amount of G856-6841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6841
  • 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 G856-6841 available by request