1732-0185 Screening compound: 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]propanamide

1732-0185 Screening compound: 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]propanamide
1732-0185 Screening compound: 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1732-0185
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]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

1732-0185

Molecular Formula

C12H8F9NO (C12 H8 F9 NO)

Compound Name

3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]propanamide

IUPAC name

333-trifluoro-2-methyl-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]propanamide

SMILES

CC(C(F)(F)F)(C(F)(F)F)C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C12H8F9NO/c1-9(11(16,17)18,12(19,20)21)8(23)22-7-4-2-3-6(5-7)10(13,14)15/h2-5H,1H3,(H,22,23)

InChI Key

XVWDXNUDMYFANF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.67

Polar Surface Area

23.601

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1732-0185 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1732-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1732-0185?
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What is the minimum amount of 1732-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1732-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1732-0185
  • 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 1732-0185 available by request