C071-0536 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]butanamide

C071-0536 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]butanamide
C071-0536 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0536
4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]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

C071-0536

Molecular Formula

C24H24F3N3O5S2 (C24 H24 F3 N3 O5 S2)

Compound Name

4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]butanamide

IUPAC name

4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[2-(methylsulfanyl)phenyl]butanamide

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(S(CCCC(Nc(cccc2)c2SC)=O)(=O)=O)n1)c1)c1OC

InChI

InChI=1S/C24H24F3N3O5S2/c1-34-18-11-10-15(13-19(18)35-2)17-14-21(24(25,26)27)30-23(29-17)37(32,33)12-6-9-22(31)28-16-7-4-5-8-20(16)36-3/h4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H,28,31)

InChI Key

UQRKTXRMABVUDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.05

Polar Surface Area

84.565

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C071-0536 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C071-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0536?
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What is the minimum amount of C071-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0536
  • 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 C071-0536 available by request