6732-0148 Screening compound: 3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile

6732-0148 Screening compound: 3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile
6732-0148 Screening compound: 3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0148
3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile

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

6732-0148

Molecular Formula

C19H28N4O4S2 (C19 H28 N4 O4 S2)

Compound Name

3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile

IUPAC name

3-(4-{4-[(4-methylpiperidin-1-yl)sulfonyl]benzenesulfonyl}piperazin-1-yl)propanenitrile

SMILES

CC(CC1)CCN1S(c(cc1)ccc1S(N1CCN(CCC#N)CC1)(=O)=O)(=O)=O

InChI

InChI=1S/C19H28N4O4S2/c1-17-7-11-22(12-8-17)28(24,25)18-3-5-19(6-4-18)29(26,27)23-15-13-21(14-16-23)10-2-9-20/h3-6,17H,2,7-8,10-16H2,1H3

InChI Key

VYOWJJBMNSVZBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.32

Polar Surface Area

84.943

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

6732-0148 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6732-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0148?
Check Price and Availability of 6732-0148, 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 6732-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0148
  • 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 6732-0148 available by request