4030-0002 Screening compound: 4-(2-PYRIDYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE

4030-0002 Screening compound: 4-(2-PYRIDYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
4030-0002 Screening compound: 4-(2-PYRIDYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4030-0002
4-(2-PYRIDYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-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

4030-0002

Molecular Formula

C7H6N4S (C7 H6 N4 S)

Compound Name

4-(2-PYRIDYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE

IUPAC name

n/a

SMILES

S=C(NN=C1)N1c1ncccc1

InChI

InChI=1S/C7H6N4S/c12-7-10-9-5-11(7)6-3-1-2-4-8-6/h1-5H,(H,10,12)

InChI Key

QFTGAYBGAVNUCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01085582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.054

Distribution Coefficient, logD

-0.518

Water Solubility, LogSw

-1.54

Polar Surface Area

37.326

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

4030-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4030-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4030-0002?
Check Price and Availability of 4030-0002, 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 4030-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4030-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4030-0002
  • 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 4030-0002 available by request