4379-0593 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-1,3-benzothiazole

4379-0593 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-1,3-benzothiazole
4379-0593 Screening compound: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4379-0593
2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-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

4379-0593

Molecular Formula

C16H12N2O2S4 (C16 H12 N2 O2 S4)

Compound Name

2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-1,3-benzothiazole

IUPAC name

2-[2-(13-benzothiazol-2-ylsulfanyl)ethanesulfonyl]-13-benzothiazole

SMILES

O=S(CCSc1nc(cccc2)c2s1)(c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C16H12N2O2S4/c19-24(20,16-18-12-6-2-4-8-14(12)23-16)10-9-21-15-17-11-5-1-3-7-13(11)22-15/h1-8H,9-10H2

InChI Key

ZSZDJBRRIXFOTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02371989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.75

Polar Surface Area

47.580

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4379-0593 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4379-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4379-0593?
Check Price and Availability of 4379-0593, 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 4379-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4379-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4379-0593
  • 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 4379-0593 available by request