8008-3961 Screening compound: 2,4,6-tris(benzylsulfanyl)benzonitrile

8008-3961 Screening compound: 2,4,6-tris(benzylsulfanyl)benzonitrile
8008-3961 Screening compound: 2,4,6-tris(benzylsulfanyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3961
2,4,6-tris(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

8008-3961

Molecular Formula

C28H23NS3 (C28 H23 NS3)

Compound Name

2,4,6-tris(benzylsulfanyl)benzonitrile

IUPAC name

246-tris(benzylsulfanyl)benzonitrile

SMILES

N#Cc(c(SCc1ccccc1)cc(SCc1ccccc1)c1)c1SCc1ccccc1

InChI

InChI=1S/C28H23NS3/c29-18-26-27(31-20-23-12-6-2-7-13-23)16-25(30-19-22-10-4-1-5-11-22)17-28(26)32-21-24-14-8-3-9-15-24/h1-17H,19-21H2

InChI Key

WLMKQOLZEZOZEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.234

Distribution Coefficient, logD

7.234

Water Solubility, LogSw

-6.36

Polar Surface Area

16.480

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 8008-3961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3961?
Check Price and Availability of 8008-3961, 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 8008-3961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3961
  • 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 8008-3961 available by request