4491-1896 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide

4491-1896 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
4491-1896 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1896
N-[2-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide

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

4491-1896

Molecular Formula

C18H18F3NO2 (C18 H18 F3 NO2)

Compound Name

N-[2-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-2-(236-trimethylphenoxy)acetamide

SMILES

Cc1ccc(C)c(OCC(Nc2c(C(F)(F)F)cccc2)=O)c1C

InChI

InChI=1S/C18H18F3NO2/c1-11-8-9-12(2)17(13(11)3)24-10-16(23)22-15-7-5-4-6-14(15)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,23)

InChI Key

DKSPFWDRPKGDSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-4.87

Polar Surface Area

30.091

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4491-1896 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 4491-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1896?
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What is the minimum amount of 4491-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1896
  • 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 4491-1896 available by request