4360-0105 Screening compound: 2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole

4360-0105 Screening compound: 2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole
4360-0105 Screening compound: 2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4360-0105
2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole

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

4360-0105

Molecular Formula

C21H18N2O2S2 (C21 H18 N2 O2 S2)

Compound Name

2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-(benzylsulfanyl)-1-(4-methylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1S(n1c(SCc2ccccc2)nc2c1cccc2)(=O)=O

InChI

InChI=1S/C21H18N2O2S2/c1-16-11-13-18(14-12-16)27(24,25)23-20-10-6-5-9-19(20)22-21(23)26-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3

InChI Key

DLPXOIXMUKKMBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

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

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.42

Polar Surface Area

36.864

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4360-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4360-0105?
Check Price and Availability of 4360-0105, 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 4360-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4360-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4360-0105
  • 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 4360-0105 available by request