C301-6139 Screening compound: 3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

C301-6139 Screening compound: 3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
C301-6139 Screening compound: 3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6139
3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

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

C301-6139

Molecular Formula

C22H14F3NO (C22 H14 F3 NO)

Compound Name

3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

IUPAC name

3-(phenylamino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

SMILES

O=C(c1c2cccc1)C(c1ccc(C(F)(F)F)cc1)=C2Nc1ccccc1

InChI

InChI=1S/C22H14F3NO/c23-22(24,25)15-12-10-14(11-13-15)19-20(26-16-6-2-1-3-7-16)17-8-4-5-9-18(17)21(19)27/h1-13,26H

InChI Key

FGEZNFPGBOANCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.35

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

5.565

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.91

Polar Surface Area

22.511

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C301-6139 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antibacterial Compounds Library (13827 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 C301-6139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6139?
Check Price and Availability of C301-6139, 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 C301-6139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6139
  • 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 C301-6139 available by request