5522-0236 Screening compound: 2-(4-bromophenyl)-6-methyl-4H-3,1-benzoxazin-4-one

5522-0236 Screening compound: 2-(4-bromophenyl)-6-methyl-4H-3,1-benzoxazin-4-one
5522-0236 Screening compound: 2-(4-bromophenyl)-6-methyl-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5522-0236
2-(4-bromophenyl)-6-methyl-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

5522-0236

Molecular Formula

C15H10BrNO2 (C15 H10 BrNO2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1N=C(c(cc1)ccc1Br)OC2=O

InChI

InChI=1S/C15H10BrNO2/c1-9-2-7-13-12(8-9)15(18)19-14(17-13)10-3-5-11(16)6-4-10/h2-8H,1H3

InChI Key

LFWAHZXHHFZLJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.15

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

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-3.98

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5522-0236 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 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
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 5522-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5522-0236?
Check Price and Availability of 5522-0236, 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 5522-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5522-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5522-0236
  • 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 5522-0236 available by request