5731-0099 Screening compound: 4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one

5731-0099 Screening compound: 4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
5731-0099 Screening compound: 4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5731-0099
4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-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

5731-0099

Molecular Formula

C23H20N4O (C23 H20 N4 O)

Compound Name

4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one

IUPAC name

12'-phenyl-12'14'15'17'-tetraazaspiro[cyclopentane-19'-tetracyclo[8.7.0.0^{27}.0^{1317}]heptadecane]-1'(10')2'(7')3'5'13'15'-hexaen-11'-one

SMILES

O=C(C(C1(CCCC1)Cc1c2cccc1)=C2n1c2nnc1)N2c1ccccc1

InChI

InChI=1S/C23H20N4O/c28-21-19-20(18-11-5-4-8-16(18)14-23(19)12-6-7-13-23)26-15-24-25-22(26)27(21)17-9-2-1-3-10-17/h1-5,8-11,15H,6-7,12-14H2

InChI Key

HKAHAPVZZASFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00351443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.04

Polar Surface Area

39.283

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5731-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5731-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5731-0099?
Check Price and Availability of 5731-0099, 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 5731-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5731-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5731-0099
  • 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 5731-0099 available by request