1682-0054 Screening compound: 6-(benzylsulfanyl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one

1682-0054 Screening compound: 6-(benzylsulfanyl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one
1682-0054 Screening compound: 6-(benzylsulfanyl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-0054
6-(benzylsulfanyl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one

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

1682-0054

Molecular Formula

C10H9N3OS2 (C10 H9 N3 OS2)

Compound Name

6-(benzylsulfanyl)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one

IUPAC name

n/a

SMILES

O=C(NC1=S)NN=C1SCc1ccccc1

InChI

InChI=1S/C10H9N3OS2/c14-10-11-8(15)9(12-13-10)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)

InChI Key

WGILAAVIFOLFAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.711

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.22

Polar Surface Area

47.972

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1682-0054 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-0054?
Check Price and Availability of 1682-0054, 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 1682-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-0054
  • 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 1682-0054 available by request