Y031-8414 Screening compound: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzenesulfonamide

Y031-8414 Screening compound: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzenesulfonamide
Y031-8414 Screening compound: 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8414
4-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzenesulfonamide

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

Y031-8414

Molecular Formula

C14H12F3NO2S (C14 H12 F3 NO2 S)

Compound Name

4-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzenesulfonamide

IUPAC name

4-methyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C14H12F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h2-9,18H,1H3

InChI Key

LAQWXSZWFLYJOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00245086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.32

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

4.400

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-4.39

Polar Surface Area

40.888

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-10.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y031-8414 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-8414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8414?
Check Price and Availability of Y031-8414, 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 Y031-8414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8414
  • 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 Y031-8414 available by request