8009-2911 Screening compound: 1,3-benzodioxol-5-ylmethyl (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl) sulfide

8009-2911 Screening compound: 1,3-benzodioxol-5-ylmethyl (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl) sulfide
8009-2911 Screening compound: 1,3-benzodioxol-5-ylmethyl (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2911
1,3-benzodioxol-5-ylmethyl (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl) sulfide

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

8009-2911

Molecular Formula

C17H15N3O2S (C17 H15 N3 O2 S)

Compound Name

1,3-benzodioxol-5-ylmethyl (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl) sulfide

IUPAC name

3-{[(2H-13-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-124-triazole

SMILES

Cn1c(SCc(cc2)cc3c2OCO3)nnc1-c1ccccc1

InChI

InChI=1S/C17H15N3O2S/c1-20-16(13-5-3-2-4-6-13)18-19-17(20)23-10-12-7-8-14-15(9-12)22-11-21-14/h2-9H,10-11H2,1H3

InChI Key

GNRDOSDAWZCYSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01418241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.77

Polar Surface Area

42.166

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8009-2911 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-2911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2911?
Check Price and Availability of 8009-2911, 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 8009-2911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2911
  • 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 8009-2911 available by request