C071-0166 Screening compound: N-(5-chloro-2-hydroxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

C071-0166 Screening compound: N-(5-chloro-2-hydroxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide
C071-0166 Screening compound: N-(5-chloro-2-hydroxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0166
N-(5-chloro-2-hydroxyphenyl)-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

C071-0166

Molecular Formula

C18H13ClF3N3O4S2 (C18 H13 ClF3 N3 O4 S2)

Compound Name

N-(5-chloro-2-hydroxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

IUPAC name

N-(5-chloro-2-hydroxyphenyl)-3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanamide

SMILES

Oc(ccc(Cl)c1)c1NC(CCS(c1nc(-c2cccs2)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C18H13ClF3N3O4S2/c19-10-3-4-13(26)11(8-10)23-16(27)5-7-31(28,29)17-24-12(14-2-1-6-30-14)9-15(25-17)18(20,21)22/h1-4,6,8-9,26H,5,7H2,(H,23,27)

InChI Key

HPJCYQLYWDIHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-4.08

Polar Surface Area

86.870

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C071-0166 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

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 C071-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0166?
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What is the minimum amount of C071-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0166
  • 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 C071-0166 available by request