E753-0423 Screening compound: 3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

E753-0423 Screening compound: 3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one
E753-0423 Screening compound: 3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E753-0423
3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

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

E753-0423

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[1,2-a][1,2,4]triazol-1-one

IUPAC name

3-(4-methylphenyl)-2-phenyl-hexahydropyrazolo[12-a][124]triazol-1-one

SMILES

Cc1ccc(C(N(CCC2)N2C2=O)N2c2ccccc2)cc1

InChI

InChI=1S/C18H19N3O/c1-14-8-10-15(11-9-14)17-19-12-5-13-20(19)18(22)21(17)16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3/t17-/m1/s1

InChI Key

YPLNSWMNAYLDHO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02197700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.34

Polar Surface Area

23.240

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E753-0423 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with E753-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E753-0423?
Check Price and Availability of E753-0423, 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 E753-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E753-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E753-0423
  • 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 E753-0423 available by request