C301-6125 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

C301-6125 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
C301-6125 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6125
3-[(3,4-dimethylphenyl)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

C301-6125

Molecular Formula

C24H18F3NO (C24 H18 F3 NO)

Compound Name

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

IUPAC name

3-[(34-dimethylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

SMILES

Cc(cc1)c(C)cc1NC(c(cccc1)c1C1=O)=C1c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C24H18F3NO/c1-14-7-12-18(13-15(14)2)28-22-19-5-3-4-6-20(19)23(29)21(22)16-8-10-17(11-9-16)24(25,26)27/h3-13,28H,1-2H3

InChI Key

HCHSSUFRUQXYOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

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

6.744

Distribution Coefficient, logD

6.744

Water Solubility, LogSw

-5.69

Polar Surface Area

22.511

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C301-6125 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-6125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6125?
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What is the minimum amount of C301-6125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6125
  • 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 C301-6125 available by request