4334-1975 Screening compound: 6-bromo-2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one

4334-1975 Screening compound: 6-bromo-2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one
4334-1975 Screening compound: 6-bromo-2-(2-bromophenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1975
6-bromo-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

4334-1975

Molecular Formula

C14H7Br2NO2 (C14 H7 Br2 NO2)

Compound Name

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

IUPAC name

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

SMILES

O=C1OC(c(cccc2)c2Br)=Nc(cc2)c1cc2Br

InChI

InChI=1S/C14H7Br2NO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H

InChI Key

ISWARKASOKIXGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.02

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

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.19

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4334-1975 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Proteases Annotated Library (2868 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4334-1975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1975?
Check Price and Availability of 4334-1975, 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 4334-1975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1975
  • 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 4334-1975 available by request