E143-0033 Screening compound: 4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

E143-0033 Screening compound: 4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
E143-0033 Screening compound: 4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E143-0033
4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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

E143-0033

Molecular Formula

C23H15F3N4O (C23 H15 F3 N4 O)

Compound Name

4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

4-benzyl-1-[4-(trifluoromethyl)phenyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C1N(Cc2ccccc2)c2nnc(-c3ccc(C(F)(F)F)cc3)n2-c2c1cccc2

InChI

InChI=1S/C23H15F3N4O/c24-23(25,26)17-12-10-16(11-13-17)20-27-28-22-29(14-15-6-2-1-3-7-15)21(31)18-8-4-5-9-19(18)30(20)22/h1-13H,14H2

InChI Key

WGOQLNHZMKWAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.004

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-4.93

Polar Surface Area

38.730

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

E143-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with E143-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E143-0033?
Check Price and Availability of E143-0033, 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 E143-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E143-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E143-0033
  • 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 E143-0033 available by request