8013-2560 Screening compound: 2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-thione

8013-2560 Screening compound: 2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-thione
8013-2560 Screening compound: 2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2560
2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-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

8013-2560

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[1,2-a][1,2,4]triazole-1-thione

IUPAC name

2-(4-methoxyphenyl)-3-(4-methylphenyl)-hexahydropyrazolo[12-a][124]triazole-1-thione

SMILES

Cc1ccc(C(N(CCC2)N2C2=S)N2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C19H21N3OS/c1-14-4-6-15(7-5-14)18-20-12-3-13-21(20)19(24)22(18)16-8-10-17(23-2)11-9-16/h4-11,18H,3,12-13H2,1-2H3/t18-/m1/s1

InChI Key

WPXUGXPODBIHGN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03764003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-3.98

Polar Surface Area

17.476

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8013-2560 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8013-2560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2560?
Check Price and Availability of 8013-2560, 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 8013-2560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2560
  • 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 8013-2560 available by request