8006-5447 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2,2,2-trifluoroacetamide

8006-5447 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2,2,2-trifluoroacetamide
8006-5447 Screening compound: N-(2-benzoyl-4-chlorophenyl)-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5447
N-(2-benzoyl-4-chlorophenyl)-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

8006-5447

Molecular Formula

C15H9ClF3NO2 (C15 H9 ClF3 NO2)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-2,2,2-trifluoroacetamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C15H9ClF3NO2/c16-10-6-7-12(20-14(22)15(17,18)19)11(8-10)13(21)9-4-2-1-3-5-9/h1-8H,(H,20,22)

InChI Key

LASKFGKVOJKTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-4.57

Polar Surface Area

36.370

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8006-5447 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-5447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5447?
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What is the minimum amount of 8006-5447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5447
  • 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 8006-5447 available by request