C071-0527 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)phenyl]butanamide

C071-0527 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)phenyl]butanamide
C071-0527 Screening compound: 4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0527
4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)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

C071-0527

Molecular Formula

C24H21F6N3O6S (C24 H21 F6 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(S(CCCC(Nc(cc2)ccc2OC(F)(F)F)=O)(=O)=O)n1)c1)c1OC

InChI

InChI=1S/C24H21F6N3O6S/c1-37-18-10-5-14(12-19(18)38-2)17-13-20(23(25,26)27)33-22(32-17)40(35,36)11-3-4-21(34)31-15-6-8-16(9-7-15)39-24(28,29)30/h5-10,12-13H,3-4,11H2,1-2H3,(H,31,34)

InChI Key

YTFKPXZVVWJCFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.63

Polar Surface Area

91.199

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C071-0527 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 C071-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0527?
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What is the minimum amount of C071-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0527
  • 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 C071-0527 available by request