0133-0062 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole

0133-0062 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole
0133-0062 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0062
2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]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

0133-0062

Molecular Formula

C15H10N2S4 (C15 H10 N2 S4)

Compound Name

2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(13-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-13-benzothiazole

SMILES

C(Sc1nc(cccc2)c2s1)Sc1nc(cccc2)c2s1

InChI

InChI=1S/C15H10N2S4/c1-3-7-12-10(5-1)16-14(20-12)18-9-19-15-17-11-6-2-4-8-13(11)21-15/h1-8H,9H2

InChI Key

MXPRFFFCRFBOPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-6.20

Polar Surface Area

18.130

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0133-0062 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0133-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0062?
Check Price and Availability of 0133-0062, 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 0133-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0062
  • 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 0133-0062 available by request