5042-0205 Screening compound: 6-bromo-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one

5042-0205 Screening compound: 6-bromo-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one
5042-0205 Screening compound: 6-bromo-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0205
6-bromo-2-(4-methylphenyl)-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

5042-0205

Molecular Formula

C15H10BrNO2 (C15 H10 BrNO2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(O1)=Nc(ccc(Br)c2)c2C1=O

InChI

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

InChI Key

MVHSHYUVOKRHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189396

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

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.07

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5042-0205 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 5042-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0205?
Check Price and Availability of 5042-0205, 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 5042-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0205
  • 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 5042-0205 available by request