0099-0319 Screening compound: 5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3-thione

0099-0319 Screening compound: 5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3-thione
0099-0319 Screening compound: 5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0319
5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3-thione

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

0099-0319

Molecular Formula

C15H13N3S (C15 H13 N3 S)

Compound Name

5,6-diphenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3-thione

IUPAC name

56-diphenyl-2345-tetrahydro-124-triazine-3-thione

SMILES

S=C(NC1c2ccccc2)NN=C1c1ccccc1

InChI

InChI=1S/C15H13N3S/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18,19)/t13-/m1/s1

InChI Key

IOSAMIZRIBBJFR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00227472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.69

Polar Surface Area

34.536

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

0099-0319 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0099-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0319?
Check Price and Availability of 0099-0319, 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 0099-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0319
  • 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 0099-0319 available by request