0091-0096 Screening compound: 3-(4-chlorobenzenesulfonyl)propanenitrile

0091-0096 Screening compound: 3-(4-chlorobenzenesulfonyl)propanenitrile
0091-0096 Screening compound: 3-(4-chlorobenzenesulfonyl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0096
3-(4-chlorobenzenesulfonyl)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

0091-0096

Molecular Formula

C9H8ClNO2S (C9 H8 ClNO2 S)

Compound Name

3-(4-chlorobenzenesulfonyl)propanenitrile

IUPAC name

3-(4-chlorobenzenesulfonyl)propanenitrile

SMILES

N#CCCS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C9H8ClNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h2-5H,1,7H2

InChI Key

KNJUCPMNNQIKGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-2.59

Polar Surface Area

46.767

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0091-0096 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0091-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0096?
Check Price and Availability of 0091-0096, 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 0091-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0096
  • 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 0091-0096 available by request