C301-6132 Screening compound: 3-[(2-methylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

C301-6132 Screening compound: 3-[(2-methylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
C301-6132 Screening compound: 3-[(2-methylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6132
3-[(2-methylphenyl)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

C301-6132

Molecular Formula

C23H16F3NO (C23 H16 F3 NO)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(c(cccc1)c1C1=O)=C1c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C23H16F3NO/c1-14-6-2-5-9-19(14)27-21-17-7-3-4-8-18(17)22(28)20(21)15-10-12-16(13-11-15)23(24,25)26/h2-13,27H,1H3

InChI Key

VKBQBGUJQOHOGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.38

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

5.875

Distribution Coefficient, logD

5.874

Water Solubility, LogSw

-5.58

Polar Surface Area

21.814

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C301-6132 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-6132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6132?
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What is the minimum amount of C301-6132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6132
  • 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 C301-6132 available by request