2829-0017 Screening compound: 2-(methylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

2829-0017 Screening compound: 2-(methylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
2829-0017 Screening compound: 2-(methylsulfanyl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2829-0017
2-(methylsulfanyl)-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

2829-0017

Molecular Formula

C16H16N2OS (C16 H16 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1nc(cccc2)c2n1CCOc1ccccc1

InChI

InChI=1S/C16H16N2OS/c1-20-16-17-14-9-5-6-10-15(14)18(16)11-12-19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

BDVGPDALORHBRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.23

Polar Surface Area

18.145

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2829-0017 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2829-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2829-0017?
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What is the minimum amount of 2829-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2829-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2829-0017
  • 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 2829-0017 available by request