8011-6194 Screening compound: phenyl 2-(ethylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate

8011-6194 Screening compound: phenyl 2-(ethylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate
8011-6194 Screening compound: phenyl 2-(ethylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6194
phenyl 2-(ethylsulfanyl)-1H-1,3-benzodiazole-1-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

8011-6194

Molecular Formula

C16H14N2O2S (C16 H14 N2 O2 S)

Compound Name

phenyl 2-(ethylsulfanyl)-1H-1,3-benzodiazole-1-carboxylate

IUPAC name

phenyl 2-(ethylsulfanyl)-1H-13-benzodiazole-1-carboxylate

SMILES

CCSc1nc(cccc2)c2n1C(Oc1ccccc1)=O

InChI

InChI=1S/C16H14N2O2S/c1-2-21-15-17-13-10-6-7-11-14(13)18(15)16(19)20-12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChI Key

RPBVJCLGQZERQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.22

Polar Surface Area

30.636

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-6194 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-6194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6194?
Check Price and Availability of 8011-6194, 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 8011-6194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6194
  • 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 8011-6194 available by request