4049-0213 Screening compound: N-(3,4-dimethylphenyl)-3-(trifluoromethyl)benzene-1-sulfonamide

4049-0213 Screening compound: N-(3,4-dimethylphenyl)-3-(trifluoromethyl)benzene-1-sulfonamide
4049-0213 Screening compound: N-(3,4-dimethylphenyl)-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4049-0213
N-(3,4-dimethylphenyl)-3-(trifluoromethyl)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

4049-0213

Molecular Formula

C15H14F3NO2S (C15 H14 F3 NO2 S)

Compound Name

N-(3,4-dimethylphenyl)-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-(34-dimethylphenyl)-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

Cc(cc1)c(C)cc1NS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C15H14F3NO2S/c1-10-6-7-13(8-11(10)2)19-22(20,21)14-5-3-4-12(9-14)15(16,17)18/h3-9,19H,1-2H3

InChI Key

BGAFPBJDNFBZGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01269307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.34

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

4.647

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.50

Polar Surface Area

40.888

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4049-0213 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Glucocorticoid receptors Library (4806 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4049-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4049-0213?
Check Price and Availability of 4049-0213, 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 4049-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4049-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4049-0213
  • 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 4049-0213 available by request