8011-5269 Screening compound: ethyl 1,3-benzothiazole-2-carboxylate

8011-5269 Screening compound: ethyl 1,3-benzothiazole-2-carboxylate
8011-5269 Screening compound: ethyl 1,3-benzothiazole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5269
ethyl 1,3-benzothiazole-2-carboxylate

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

8011-5269

Molecular Formula

C10H9NO2S (C10 H9 NO2 S)

Compound Name

ethyl 1,3-benzothiazole-2-carboxylate

IUPAC name

ethyl 13-benzothiazole-2-carboxylate

SMILES

CCOC(c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3

InChI Key

VLQLCEXNNGQELL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00848360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.00

Polar Surface Area

30.713

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8011-5269 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5269?
Check Price and Availability of 8011-5269, 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 8011-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5269
  • 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 8011-5269 available by request