4334-1977 Screening compound: 2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one

4334-1977 Screening compound: 2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one
4334-1977 Screening compound: 2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1977
2-(2-bromophenyl)-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

4334-1977

Molecular Formula

C14H8BrNO2 (C14 H8 BrNO2)

Compound Name

2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

2-(2-bromophenyl)-4H-31-benzoxazin-4-one

SMILES

O=C1OC(c(cccc2)c2Br)=Nc2c1cccc2

InChI

InChI=1S/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H

InChI Key

RYRROGBSEYPKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00436285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.13

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

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.73

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4334-1977 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

Human Proteases Annotated Library (2868 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)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4334-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1977?
Check Price and Availability of 4334-1977, 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 4334-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1977
  • 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 4334-1977 available by request