0527-0001 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propanenitrile

0527-0001 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propanenitrile
0527-0001 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0527-0001
3-[(4-methylbenzenesulfonyl)oxy]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

0527-0001

Molecular Formula

C10H11NO3S (C10 H11 NO3 S)

Compound Name

3-[(4-methylbenzenesulfonyl)oxy]propanenitrile

IUPAC name

3-[(4-methylbenzenesulfonyl)oxy]propanenitrile

SMILES

Cc(cc1)ccc1S(OCCC#N)(=O)=O

InChI

InChI=1S/C10H11NO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,8H2,1H3

InChI Key

JRGDCDUZKXETSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.119

Distribution Coefficient, logD

1.119

Water Solubility, LogSw

-2.21

Polar Surface Area

55.009

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0527-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0527-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0527-0001?
Check Price and Availability of 0527-0001, 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 0527-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0527-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0527-0001
  • 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 0527-0001 available by request