C071-0434 Screening compound: propyl 5-(dimethylcarbamoyl)-2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4-methylthiophene-3-carboxylate

C071-0434 Screening compound: propyl 5-(dimethylcarbamoyl)-2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4-methylthiophene-3-carboxylate
C071-0434 Screening compound: propyl 5-(dimethylcarbamoyl)-2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0434
propyl 5-(dimethylcarbamoyl)-2-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamido)-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

C071-0434

Molecular Formula

C28H31F3N4O7S2 (C28 H31 F3 N4 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(c1c(NC(CCCS(c2nc(-c(cccc3)c3OC)cc(C(F)(F)F)n2)(=O)=O)=O)sc(C(N(C)C)=O)c1C)=O

InChI

InChI=1S/C28H31F3N4O7S2/c1-6-13-42-26(38)22-16(2)23(25(37)35(3)4)43-24(22)34-21(36)12-9-14-44(39,40)27-32-18(15-20(33-27)28(29,30)31)17-10-7-8-11-19(17)41-5/h7-8,10-11,15H,6,9,12-14H2,1-5H3,(H,34,36)

InChI Key

VMMFBBPSXKQBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

0.761

Water Solubility, LogSw

-3.88

Polar Surface Area

114.475

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C071-0434 in Drug Discovery

Included in Screening Libraries

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 C071-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0434?
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What is the minimum amount of C071-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0434
  • 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 C071-0434 available by request