0100-0020 Screening compound: 2-phenyl-4H-3,1-benzoxazin-4-one

0100-0020 Screening compound: 2-phenyl-4H-3,1-benzoxazin-4-one
0100-0020 Screening compound: 2-phenyl-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0100-0020
2-phenyl-4H-3,1-benzoxazin-4-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

0100-0020

Molecular Formula

C14H9NO2 (C14 H9 NO2)

Compound Name

2-phenyl-4H-3,1-benzoxazin-4-one

IUPAC name

2-phenyl-4H-31-benzoxazin-4-one

SMILES

O=C1OC(c2ccccc2)=Nc2c1cccc2

InChI

InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H

InChI Key

HTTLBYITFHMYFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.581

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-3.86

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0100-0020 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Proteases
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0100-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0100-0020?
Check Price and Availability of 0100-0020, 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 0100-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0100-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0100-0020
  • 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 0100-0020 available by request