6732-0161 Screening compound: 3-{4-[4-(morpholine-4-sulfonyl)benzenesulfonyl]piperazin-1-yl}propanenitrile

6732-0161 Screening compound: 3-{4-[4-(morpholine-4-sulfonyl)benzenesulfonyl]piperazin-1-yl}propanenitrile
6732-0161 Screening compound: 3-{4-[4-(morpholine-4-sulfonyl)benzenesulfonyl]piperazin-1-yl}propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0161
3-{4-[4-(morpholine-4-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

6732-0161

Molecular Formula

C17H24N4O5S2 (C17 H24 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

N#CCCN(CC1)CCN1S(c(cc1)ccc1S(N1CCOCC1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H24N4O5S2/c18-6-1-7-19-8-10-20(11-9-19)27(22,23)16-2-4-17(5-3-16)28(24,25)21-12-14-26-15-13-21/h2-5H,1,7-15H2

InChI Key

ZNHFZYGVRLDECM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.044

Distribution Coefficient, logD

-0.044

Water Solubility, LogSw

-2.06

Polar Surface Area

92.851

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

6732-0161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6732-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0161?
Check Price and Availability of 6732-0161, 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 6732-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0161
  • 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 6732-0161 available by request