4952-0042 Screening compound: 4-chloro-N~1~-[2,4-dimethyl-5-(piperidinosulfonyl)phenyl]-N~1~-methyl-1-benzenesulfonamide

4952-0042 Screening compound: 4-chloro-N~1~-[2,4-dimethyl-5-(piperidinosulfonyl)phenyl]-N~1~-methyl-1-benzenesulfonamide
4952-0042 Screening compound: 4-chloro-N~1~-[2,4-dimethyl-5-(piperidinosulfonyl)phenyl]-N~1~-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4952-0042
4-chloro-N~1~-[2,4-dimethyl-5-(piperidinosulfonyl)phenyl]-N~1~-methyl-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

4952-0042

Molecular Formula

C20H25ClN2O4S2 (C20 H25 ClN2 O4 S2)

Compound Name

4-chloro-N~1~-[2,4-dimethyl-5-(piperidinosulfonyl)phenyl]-N~1~-methyl-1-benzenesulfonamide

IUPAC name

n/a

SMILES

Cc(cc(C)c(S(N1CCCCC1)(=O)=O)c1)c1N(C)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C20H25ClN2O4S2/c1-15-13-16(2)20(29(26,27)23-11-5-4-6-12-23)14-19(15)22(3)28(24,25)18-9-7-17(21)8-10-18/h7-10,13-14H,4-6,11-12H2,1-3H3

InChI Key

JDPCFACGVBISGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.04

Polar Surface Area

64.470

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4952-0042 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4952-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4952-0042?
Check Price and Availability of 4952-0042, 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 4952-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4952-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4952-0042
  • 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 4952-0042 available by request