4130-6070 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide

4130-6070 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
4130-6070 Screening compound: 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-6070
2-phenyl-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

4130-6070

Molecular Formula

C17H16F3NO (C17 H16 F3 NO)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1cccc(C(F)(F)F)c1)=O)c1ccccc1

InChI

InChI=1S/C17H16F3NO/c1-2-15(12-7-4-3-5-8-12)16(22)21-14-10-6-9-13(11-14)17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)/t15-/m1/s1

InChI Key

BWAFLODPHBKWPC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02219802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.32

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

4.931

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.64

Polar Surface Area

23.330

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

4130-6070 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4130-6070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-6070?
Check Price and Availability of 4130-6070, 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 4130-6070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-6070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-6070
  • 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 4130-6070 available by request