2372-2108 Screening compound: 2-[(1E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one

2372-2108 Screening compound: 2-[(1E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one
2372-2108 Screening compound: 2-[(1E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2372-2108
2-[(1E)-2-phenylethenyl]-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

2372-2108

Molecular Formula

C16H11NO2 (C16 H11 NO2)

Compound Name

2-[(1E)-2-phenylethenyl]-4H-3,1-benzoxazin-4-one

IUPAC name

2-[(1E)-2-phenylethenyl]-4H-31-benzoxazin-4-one

SMILES

O=C1OC(/C=C/c2ccccc2)=Nc2c1cccc2

InChI

InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H

InChI Key

KBAXULDFOCTUNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00126192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.90

Polar Surface Area

30.331

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2372-2108 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2372-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2372-2108?
Check Price and Availability of 2372-2108, 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 2372-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2372-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2372-2108
  • 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 2372-2108 available by request