4896-4195 Screening compound: 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol

4896-4195 Screening compound: 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
4896-4195 Screening compound: 4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4195
4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-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

4896-4195

Molecular Formula

C12H12N6S (C12 H12 N6 S)

Compound Name

4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-amino-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-124-triazole-3-thiol

SMILES

Cc(cc1-c2ccccc2)nn1-c(n1N)nnc1S

InChI

InChI=1S/C12H12N6S/c1-8-7-10(9-5-3-2-4-6-9)18(16-8)11-14-15-12(19)17(11)13/h2-7H,13H2,1H3,(H,15,19)

InChI Key

JGCXBHRWEUVLGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02168383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.236

Distribution Coefficient, logD

0.582

Water Solubility, LogSw

-0.90

Polar Surface Area

53.326

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4896-4195 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Carbonic Anhydrase II Library (4939 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 4896-4195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4195?
Check Price and Availability of 4896-4195, 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 4896-4195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4195
  • 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 4896-4195 available by request