6732-0166 Screening compound: 3-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]propanenitrile

6732-0166 Screening compound: 3-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]propanenitrile
6732-0166 Screening compound: 3-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0166
3-[4-(4-acetylbenzenesulfonyl)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

6732-0166

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

3-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]propanenitrile

IUPAC name

3-[4-(4-acetylbenzenesulfonyl)piperazin-1-yl]propanenitrile

SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-13(19)14-3-5-15(6-4-14)22(20,21)18-11-9-17(10-12-18)8-2-7-16/h3-6H,2,8-12H2,1H3

InChI Key

CQODDTHHLRPNMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07963841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.391

Distribution Coefficient, logD

0.390

Water Solubility, LogSw

-2.20

Polar Surface Area

67.058

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

6732-0166 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6732-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0166?
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What is the minimum amount of 6732-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0166
  • 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 6732-0166 available by request