5777-0197 Screening compound: 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol

5777-0197 Screening compound: 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol
5777-0197 Screening compound: 4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0197
4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol

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

5777-0197

Molecular Formula

C8H8N4S (C8 H8 N4 S)

Compound Name

4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

4-amino-5-phenyl-4H-124-triazole-3-thiol

SMILES

Nn1c(S)nnc1-c1ccccc1

InChI

InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)

InChI Key

OKNHZPGPLNUEPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00269264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.978

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-0.89

Polar Surface Area

40.885

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5777-0197 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5777-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0197?
Check Price and Availability of 5777-0197, 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 5777-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0197
  • 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 5777-0197 available by request