8012-3468 Screening compound: 2,4-bis(benzylsulfanyl)benzonitrile

8012-3468 Screening compound: 2,4-bis(benzylsulfanyl)benzonitrile
8012-3468 Screening compound: 2,4-bis(benzylsulfanyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3468
2,4-bis(benzylsulfanyl)benzonitrile

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

8012-3468

Molecular Formula

C21H17NS2 (C21 H17 NS2)

Compound Name

2,4-bis(benzylsulfanyl)benzonitrile

IUPAC name

24-bis(benzylsulfanyl)benzonitrile

SMILES

N#Cc(ccc(SCc1ccccc1)c1)c1SCc1ccccc1

InChI

InChI=1S/C21H17NS2/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-13H,15-16H2

InChI Key

GMVQVQHIOKTPCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02752922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.358

Water Solubility, LogSw

-6.06

Polar Surface Area

16.752

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8012-3468 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-3468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3468?
Check Price and Availability of 8012-3468, 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 8012-3468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3468
  • 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 8012-3468 available by request