4388-0138 Screening compound: N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

4388-0138 Screening compound: N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
4388-0138 Screening compound: N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4388-0138
N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

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

4388-0138

Molecular Formula

C21H15ClF3NO3S (C21 H15 ClF3 NO3 S)

Compound Name

N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

IUPAC name

N-(4-chlorobenzenesulfonyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES

Cc(cccc1)c1C(N(c1cc(C(F)(F)F)ccc1)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C21H15ClF3NO3S/c1-14-5-2-3-8-19(14)20(27)26(17-7-4-6-15(13-17)21(23,24)25)30(28,29)18-11-9-16(22)10-12-18/h2-13H,1H3

InChI Key

RVETUXKZIFUXQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.99

Polar Surface Area

45.546

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-16.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4388-0138 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4388-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4388-0138?
Check Price and Availability of 4388-0138, 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 4388-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4388-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4388-0138
  • 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 4388-0138 available by request