2076-0080 Screening compound: 2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

2076-0080 Screening compound: 2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
2076-0080 Screening compound: 2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2076-0080
2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

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

2076-0080

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

IUPAC name

2-(ethylsulfanyl)-1-(2-phenoxyethyl)-1H-13-benzodiazole

SMILES

CCSc1nc(cccc2)c2n1CCOc1ccccc1

InChI

InChI=1S/C17H18N2OS/c1-2-21-17-18-15-10-6-7-11-16(15)19(17)12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3

InChI Key

FRFYBOSGZLWJAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.59

Polar Surface Area

18.145

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2076-0080 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2076-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2076-0080?
Check Price and Availability of 2076-0080, 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 2076-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2076-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2076-0080
  • 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 2076-0080 available by request