0896-6796 Screening compound: N-benzyl-2,2,2-trifluoroacetamide

0896-6796 Screening compound: N-benzyl-2,2,2-trifluoroacetamide
0896-6796 Screening compound: N-benzyl-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-6796
N-benzyl-2,2,2-trifluoroacetamide

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

0896-6796

Molecular Formula

C9H8F3NO (C9 H8 F3 NO)

Compound Name

N-benzyl-2,2,2-trifluoroacetamide

IUPAC name

N-benzyl-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)NCc1ccccc1

InChI

InChI=1S/C9H8F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

InChI Key

DEXVYKWXVWAYGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.16

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.16

Polar Surface Area

24.923

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0896-6796 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0896-6796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-6796?
Check Price and Availability of 0896-6796, 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 0896-6796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-6796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-6796
  • 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 0896-6796 available by request