C301-6126 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one

C301-6126 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
C301-6126 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6126
3-[(3-chloro-4-methoxyphenyl)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

C301-6126

Molecular Formula

C23H15ClF3NO2 (C23 H15 ClF3 NO2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(c(cccc1)c1C1=O)=C1c1ccc(C(F)(F)F)cc1)c1)c1Cl

InChI

InChI=1S/C23H15ClF3NO2/c1-30-19-11-10-15(12-18(19)24)28-21-16-4-2-3-5-17(16)22(29)20(21)13-6-8-14(9-7-13)23(25,26)27/h2-12,28H,1H3

InChI Key

OVVWNDSODUYOKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.267

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-6.12

Polar Surface Area

30.142

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C301-6126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6126?
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What is the minimum amount of C301-6126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6126
  • 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 C301-6126 available by request