7547-4121 Screening compound: 4-ethoxy-2,3-dimethyl-N-(pyridin-4-yl)benzene-1-sulfonamide

7547-4121 Screening compound: 4-ethoxy-2,3-dimethyl-N-(pyridin-4-yl)benzene-1-sulfonamide
7547-4121 Screening compound: 4-ethoxy-2,3-dimethyl-N-(pyridin-4-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7547-4121
4-ethoxy-2,3-dimethyl-N-(pyridin-4-yl)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

7547-4121

Molecular Formula

C15H18N2O3S (C15 H18 N2 O3 S)

Compound Name

4-ethoxy-2,3-dimethyl-N-(pyridin-4-yl)benzene-1-sulfonamide

IUPAC name

4-ethoxy-23-dimethyl-N-(pyridin-4-yl)benzene-1-sulfonamide

SMILES

CCOc(cc1)c(C)c(C)c1S(Nc1ccncc1)(=O)=O

InChI

InChI=1S/C15H18N2O3S/c1-4-20-14-5-6-15(12(3)11(14)2)21(18,19)17-13-7-9-16-10-8-13/h5-10H,4H2,1-3H3,(H,16,17)

InChI Key

SFRBUUOSVDJYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05741059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.09

Polar Surface Area

57.526

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

7547-4121 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7547-4121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7547-4121?
Check Price and Availability of 7547-4121, 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 7547-4121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7547-4121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7547-4121
  • 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 7547-4121 available by request