0096-0264 Screening compound: 3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

0096-0264 Screening compound: 3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
0096-0264 Screening compound: 3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0264
3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

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

0096-0264

Molecular Formula

C11H10F3NO2 (C11 H10 F3 NO2)

Compound Name

3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

IUPAC name

3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

SMILES

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

InChI

InChI=1S/C11H10F3NO2/c1-7(16)5-10(17)15-9-4-2-3-8(6-9)11(12,13)14/h2-4,6H,5H2,1H3,(H,15,17)

InChI Key

YOTPJLYOOXQHKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00201876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.2

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

2.062

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-2.83

Polar Surface Area

36.723

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0096-0264 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0096-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0264?
Check Price and Availability of 0096-0264, 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 0096-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0264
  • 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 0096-0264 available by request