C071-0551 Screening compound: propyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

C071-0551 Screening compound: propyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
C071-0551 Screening compound: propyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0551
propyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

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

C071-0551

Molecular Formula

C29H33F3N4O8S2 (C29 H33 F3 N4 O8 S2)

Compound Name

propyl 2-(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

IUPAC name

propyl 2-(4-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES

CCCOC(c1c(NC(CCCS(c2nc(-c(cc3)cc(OC)c3OC)cc(C(F)(F)F)n2)(=O)=O)=O)sc(C(N(C)C)=O)c1C)=O

InChI

InChI=1S/C29H33F3N4O8S2/c1-7-12-44-27(39)23-16(2)24(26(38)36(3)4)45-25(23)35-22(37)9-8-13-46(40,41)28-33-18(15-21(34-28)29(30,31)32)17-10-11-19(42-5)20(14-17)43-6/h10-11,14-15H,7-9,12-13H2,1-6H3,(H,35,37)

InChI Key

VAIPNGNMWURBLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

686.73

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

0.727

Water Solubility, LogSw

-3.77

Polar Surface Area

122.105

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C071-0551 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C071-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0551?
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What is the minimum amount of C071-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0551
  • 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 C071-0551 available by request