C071-0168 Screening compound: N-(2,4-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

C071-0168 Screening compound: N-(2,4-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide
C071-0168 Screening compound: N-(2,4-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0168
N-(2,4-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

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

C071-0168

Molecular Formula

C18H12F5N3O3S2 (C18 H12 F5 N3 O3 S2)

Compound Name

N-(2,4-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

IUPAC name

N-(24-difluorophenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

SMILES

O=C(CCS(c1nc(-c2cccs2)cc(C(F)(F)F)n1)(=O)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C18H12F5N3O3S2/c19-10-3-4-12(11(20)8-10)24-16(27)5-7-31(28,29)17-25-13(14-2-1-6-30-14)9-15(26-17)18(21,22)23/h1-4,6,8-9H,5,7H2,(H,24,27)

InChI Key

QQXVBWOVMNUPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-4.07

Polar Surface Area

70.322

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C071-0168 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 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 C071-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0168?
Check Price and Availability of C071-0168, 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 C071-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0168
  • 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 C071-0168 available by request