C071-0521 Screening compound: N-(3,4-dimethoxyphenyl)-4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0521 Screening compound: N-(3,4-dimethoxyphenyl)-4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0521 Screening compound: N-(3,4-dimethoxyphenyl)-4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0521
N-(3,4-dimethoxyphenyl)-4-{[4-(3,4-dimethoxyphenyl)-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

C071-0521

Molecular Formula

C25H26F3N3O7S (C25 H26 F3 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(S(CCCC(Nc(cc2)cc(OC)c2OC)=O)(=O)=O)n1)c1)c1OC

InChI

InChI=1S/C25H26F3N3O7S/c1-35-18-9-7-15(12-20(18)37-3)17-14-22(25(26,27)28)31-24(30-17)39(33,34)11-5-6-23(32)29-16-8-10-19(36-2)21(13-16)38-4/h7-10,12-14H,5-6,11H2,1-4H3,(H,29,32)

InChI Key

DGEROVMCCQBAGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.62

Polar Surface Area

100.524

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C071-0521 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C071-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0521?
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What is the minimum amount of C071-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0521
  • 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 C071-0521 available by request