1595-0054 Screening compound: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

1595-0054 Screening compound: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
1595-0054 Screening compound: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1595-0054
2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

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

1595-0054

Molecular Formula

C16H16F3NO2S (C16 H16 F3 NO2 S)

Compound Name

2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

IUPAC name

246-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(Nc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3

InChI Key

ZIIUUSVHCHPIQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00095824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-5.66

Polar Surface Area

40.888

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-10.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1595-0054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 1595-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1595-0054?
Check Price and Availability of 1595-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1595-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1595-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1595-0054
  • 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 1595-0054 available by request