4358-6246 Screening compound: 2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole

4358-6246 Screening compound: 2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole
4358-6246 Screening compound: 2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6246
2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole

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

4358-6246

Molecular Formula

C14H10N2O4S3 (C14 H10 N2 O4 S3)

Compound Name

2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole

IUPAC name

2-[(4-methanesulfonyl-2-nitrophenyl)sulfanyl]-13-benzothiazole

SMILES

CS(c(cc1)cc([N+]([O-])=O)c1Sc1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C14H10N2O4S3/c1-23(19,20)9-6-7-13(11(8-9)16(17)18)22-14-15-10-4-2-3-5-12(10)21-14/h2-8H,1H3

InChI Key

WEKHSHMCROYTRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.24

Polar Surface Area

71.878

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4358-6246 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6246?
Check Price and Availability of 4358-6246, 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 4358-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6246
  • 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 4358-6246 available by request