4264-0451 Screening compound: {[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile

4264-0451 Screening compound: {[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile
4264-0451 Screening compound: {[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4264-0451
{[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile

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

4264-0451

Molecular Formula

C16H15NO2S2 (C16 H15 NO2 S2)

Compound Name

{[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile

IUPAC name

{[2-(4-methylbenzenesulfonyl)-1-phenylethyl]sulfanyl}carbonitrile

SMILES

Cc(cc1)ccc1S(CC(c1ccccc1)SC#N)(=O)=O

InChI

InChI=1S/C16H15NO2S2/c1-13-7-9-15(10-8-13)21(18,19)11-16(20-12-17)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3/t16-/m0/s1

InChI Key

LYGIYIJZXPJYGQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00563145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.59

Polar Surface Area

46.800

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

4264-0451 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4264-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4264-0451?
Check Price and Availability of 4264-0451, 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 4264-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4264-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4264-0451
  • 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 4264-0451 available by request