8563-0973 Screening compound: 2-methyl-3-phenyl-8,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6(7H)-one

8563-0973 Screening compound: 2-methyl-3-phenyl-8,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6(7H)-one
8563-0973 Screening compound: 2-methyl-3-phenyl-8,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0973
2-methyl-3-phenyl-8,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6(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

8563-0973

Molecular Formula

C16H14N4O (C16 H14 N4 O)

Compound Name

2-methyl-3-phenyl-8,9-dihydropyrazolo[5,1-c][1,2,4]benzotriazin-6(7H)-one

IUPAC name

4-methyl-5-phenyl-2378-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)357-tetraen-10-one

SMILES

Cc1nn2c(CCCC3=O)c3nnc2c1-c1ccccc1

InChI

InChI=1S/C16H14N4O/c1-10-14(11-6-3-2-4-7-11)16-18-17-15-12(20(16)19-10)8-5-9-13(15)21/h2-4,6-7H,5,8-9H2,1H3

InChI Key

BMCGHWXMUAFKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.32

Polar Surface Area

49.476

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8563-0973 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8563-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0973?
Check Price and Availability of 8563-0973, 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 8563-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0973
  • 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 8563-0973 available by request