C456-0017 Screening compound: [1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid

C456-0017 Screening compound: [1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid
C456-0017 Screening compound: [1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0017
[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid

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

C456-0017

Molecular Formula

C8H5N3O3S2 (C8 H5 N3 O3 S2)

Compound Name

[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid

IUPAC name

7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene-3-sulfonic acid

SMILES

OS(c1nnc2sc(cccc3)c3n12)(=O)=O

InChI

InChI=1S/C8H5N3O3S2/c12-16(13,14)8-10-9-7-11(8)5-3-1-2-4-6(5)15-7/h1-4H,(H,12,13,14)

InChI Key

JEJBMUYQEHMPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03863897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.797

Distribution Coefficient, logD

-14.451

Water Solubility, LogSw

-1.68

Polar Surface Area

65.364

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C456-0017 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C456-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0017?
Check Price and Availability of C456-0017, 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 C456-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0017
  • 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 C456-0017 available by request