C301-6141 Screening compound: 3-[(3-chlorophenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

C301-6141 Screening compound: 3-[(3-chlorophenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
C301-6141 Screening compound: 3-[(3-chlorophenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6141
3-[(3-chlorophenyl)amino]-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

C301-6141

Molecular Formula

C22H13ClF3NO (C22 H13 ClF3 NO)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)C(c1ccc(C(F)(F)F)cc1)=C2Nc1cccc(Cl)c1

InChI

InChI=1S/C22H13ClF3NO/c23-15-4-3-5-16(12-15)27-20-17-6-1-2-7-18(17)21(28)19(20)13-8-10-14(11-9-13)22(24,25)26/h1-12,27H

InChI Key

RORJBHRCXRCJQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.8

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

6.510

Distribution Coefficient, logD

6.466

Water Solubility, LogSw

-6.52

Polar Surface Area

22.511

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C301-6141 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-6141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6141?
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What is the minimum amount of C301-6141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6141
  • 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 C301-6141 available by request