C071-0653 Screening compound: N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0653 Screening compound: N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0653 Screening compound: N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0653
N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

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

C071-0653

Molecular Formula

C20H18F3N3O3S3 (C20 H18 F3 N3 O3 S3)

Compound Name

N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

IUPAC name

N-[2-(methylsulfanyl)phenyl]-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

SMILES

CSc(cccc1)c1NC(CCCS(c1nc(-c2cccs2)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C20H18F3N3O3S3/c1-30-15-7-3-2-6-13(15)24-18(27)9-5-11-32(28,29)19-25-14(16-8-4-10-31-16)12-17(26-19)20(21,22)23/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,24,27)

InChI Key

ZPSKGSNGWFJRBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-3.90

Polar Surface Area

70.322

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C071-0653 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C071-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0653?
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What is the minimum amount of C071-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0653
  • 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 C071-0653 available by request