C071-0296 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide

C071-0296 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide
C071-0296 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0296
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide

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

C071-0296

Molecular Formula

C24H22F3N3O8S (C24 H22 F3 N3 O8 S)

Compound Name

3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-{[4-(2H-13-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(NC(CCS(c2nc(-c(cc3)cc4c3OCO4)cc(C(F)(F)F)n2)(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H22F3N3O8S/c1-34-18-9-14(10-19(35-2)22(18)36-3)28-21(31)6-7-39(32,33)23-29-15(11-20(30-23)24(25,26)27)13-4-5-16-17(8-13)38-12-37-16/h4-5,8-11H,6-7,12H2,1-3H3,(H,28,31)

InChI Key

KBJJFFURIOIYFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.74

Polar Surface Area

110.095

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C071-0296 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C071-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0296?
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What is the minimum amount of C071-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0296
  • 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 C071-0296 available by request