G856-9959 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

G856-9959 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide
G856-9959 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9959
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-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

G856-9959

Molecular Formula

C16H13ClF3N3O2S (C16 H13 ClF3 N3 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({2-oxo-1H2H5H6H7H-cyclopenta[d]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

O=C(CSC(C(CCC1)=C1N1)=NC1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C16H13ClF3N3O2S/c17-10-5-4-8(16(18,19)20)6-12(10)21-13(24)7-26-14-9-2-1-3-11(9)22-15(25)23-14/h4-6H,1-3,7H2,(H,21,24)(H,22,23,25)

InChI Key

VFTPIXDQSHOVPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.81

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

2.967

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.64

Polar Surface Area

55.209

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G856-9959 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-9959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9959?
Check Price and Availability of G856-9959, 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 G856-9959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9959
  • 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 G856-9959 available by request