5614-0022 Screening compound: 2,4-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-N-(pyridin-4-yl)benzene-1-sulfonamide

5614-0022 Screening compound: 2,4-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-N-(pyridin-4-yl)benzene-1-sulfonamide
5614-0022 Screening compound: 2,4-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-N-(pyridin-4-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5614-0022
2,4-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-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

5614-0022

Molecular Formula

C20H20ClN3O4S2 (C20 H20 ClN3 O4 S2)

Compound Name

2,4-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-N-(pyridin-4-yl)benzene-1-sulfonamide

IUPAC name

24-dimethyl-3-(N-methyl4-chlorobenzenesulfonamido)-N-(pyridin-4-yl)benzene-1-sulfonamide

SMILES

Cc(c(N(C)S(c(cc1)ccc1Cl)(=O)=O)c1C)ccc1S(Nc1ccncc1)(=O)=O

InChI

InChI=1S/C20H20ClN3O4S2/c1-14-4-9-19(29(25,26)23-17-10-12-22-13-11-17)15(2)20(14)24(3)30(27,28)18-7-5-16(21)6-8-18/h4-13H,1-3H3,(H,22,23)

InChI Key

XYUMIKMGIGGVKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.48

Polar Surface Area

82.536

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5614-0022 in Drug Discovery

Included in Screening Libraries

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

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5614-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5614-0022?
Check Price and Availability of 5614-0022, 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 5614-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5614-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5614-0022
  • 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 5614-0022 available by request