8010-8478 Screening compound: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole

8010-8478 Screening compound: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole
8010-8478 Screening compound: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8478
3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole

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

8010-8478

Molecular Formula

C10H11N3S (C10 H11 N3 S)

Compound Name

3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-methyl-4H-124-triazole

SMILES

Cc([nH]1)nnc1SCc1ccccc1

InChI

InChI=1S/C10H11N3S/c1-8-11-10(13-12-8)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)

InChI Key

VTZCBPXYGXVXMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01048982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

0.971

Water Solubility, LogSw

-1.69

Polar Surface Area

32.358

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-8478 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8478?
Check Price and Availability of 8010-8478, 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 8010-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8478
  • 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 8010-8478 available by request