8011-9641 Screening compound: 2-(benzylsulfinyl)-4-methoxybenzonitrile

8011-9641 Screening compound: 2-(benzylsulfinyl)-4-methoxybenzonitrile
8011-9641 Screening compound: 2-(benzylsulfinyl)-4-methoxybenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9641
2-(benzylsulfinyl)-4-methoxybenzonitrile

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

8011-9641

Molecular Formula

C15H13NO2S (C15 H13 NO2 S)

Compound Name

2-(benzylsulfinyl)-4-methoxybenzonitrile

IUPAC name

4-methoxy-2-phenylmethanesulfinylbenzonitrile

SMILES

COc(cc1)cc(S(Cc2ccccc2)=O)c1C#N

InChI

InChI=1S/C15H15NO2S/c1-18-14-8-7-13(10-16)15(9-14)19(17)11-12-5-3-2-4-6-12/h2-9H,11,19H2,1H3

InChI Key

YKCVPCKFFHVNBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.541

Water Solubility, LogSw

-2.96

Polar Surface Area

39.979

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8011-9641 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-9641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9641?
Check Price and Availability of 8011-9641, 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 8011-9641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9641
  • 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 8011-9641 available by request