G856-8171 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamide

G856-8171 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamide
G856-8171 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8171
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-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

G856-8171

Molecular Formula

C14H11ClF3N3O2S (C14 H11 ClF3 N3 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-2-oxo-12-dihydropyrimidin-4-yl)sulfanyl]acetamide

SMILES

CC(N1)=CC(SCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)=NC1=O

InChI

InChI=1S/C14H11ClF3N3O2S/c1-7-4-12(21-13(23)19-7)24-6-11(22)20-10-5-8(14(16,17)18)2-3-9(10)15/h2-5H,6H2,1H3,(H,20,22)(H,19,21,23)

InChI Key

KOAXCNKRZDKQDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.60

Polar Surface Area

55.531

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G856-8171 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-8171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8171?
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What is the minimum amount of G856-8171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8171
  • 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 G856-8171 available by request