5786-1691 Screening compound: 2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole

5786-1691 Screening compound: 2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole
5786-1691 Screening compound: 2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1691
2-[(2-phenylethyl)sulfanyl]-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

5786-1691

Molecular Formula

C15H14N2S (C15 H14 N2 S)

Compound Name

2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole

IUPAC name

2-[(2-phenylethyl)sulfanyl]-1H-13-benzodiazole

SMILES

C(CSc1nc(cccc2)c2[nH]1)c1ccccc1

InChI

InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)

InChI Key

YXSILMYONHYNFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00640593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.26

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5786-1691 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5786-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1691?
Check Price and Availability of 5786-1691, 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 5786-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1691
  • 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 5786-1691 available by request