8016-8326 Screening compound: 2-(benzylsulfanyl)[1,3]thiazolo[4,5-b]pyridine-5,7-diol

8016-8326 Screening compound: 2-(benzylsulfanyl)[1,3]thiazolo[4,5-b]pyridine-5,7-diol
8016-8326 Screening compound: 2-(benzylsulfanyl)[1,3]thiazolo[4,5-b]pyridine-5,7-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8326
2-(benzylsulfanyl)[1,3]thiazolo[4,5-b]pyridine-5,7-diol

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

8016-8326

Molecular Formula

C13H10N2O2S2 (C13 H10 N2 O2 S2)

Compound Name

2-(benzylsulfanyl)[1,3]thiazolo[4,5-b]pyridine-5,7-diol

IUPAC name

2-(benzylsulfanyl)-[13]thiazolo[45-b]pyridine-57-diol

SMILES

Oc1c2sc(SCc3ccccc3)nc2nc(O)c1

InChI

InChI=1S/C13H10N2O2S2/c16-9-6-10(17)14-12-11(9)19-13(15-12)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,16,17)

InChI Key

ZAUDDKNYHZCYSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-3.01

Polar Surface Area

52.797

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8016-8326 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8326?
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What is the minimum amount of 8016-8326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8326
  • 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 8016-8326 available by request