C071-0303 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(2,4-dimethoxyphenyl)propanamide

C071-0303 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(2,4-dimethoxyphenyl)propanamide
C071-0303 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(2,4-dimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0303
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(2,4-dimethoxyphenyl)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

C071-0303

Molecular Formula

C23H20F3N3O7S (C23 H20 F3 N3 O7 S)

Compound Name

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

IUPAC name

3-{[4-(2H-13-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(24-dimethoxyphenyl)propanamide

SMILES

COc(cc1)cc(OC)c1NC(CCS(c1nc(-c(cc2)cc3c2OCO3)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C23H20F3N3O7S/c1-33-14-4-5-15(18(10-14)34-2)27-21(30)7-8-37(31,32)22-28-16(11-20(29-22)23(24,25)26)13-3-6-17-19(9-13)36-12-35-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,30)

InChI Key

LVRMQXNGEYMZQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.11

Polar Surface Area

101.594

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C071-0303 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C071-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0303?
Check Price and Availability of C071-0303, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C071-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0303
  • 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 C071-0303 available by request