3226-0069 Screening compound: 6-bromo-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one

3226-0069 Screening compound: 6-bromo-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one
3226-0069 Screening compound: 6-bromo-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-0069
6-bromo-2-(4-propoxyphenyl)-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

3226-0069

Molecular Formula

C17H14BrNO3 (C17 H14 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H14BrNO3/c1-2-9-21-13-6-3-11(4-7-13)16-19-15-8-5-12(18)10-14(15)17(20)22-16/h3-8,10H,2,9H2,1H3

InChI Key

JPHCUGFGYTZMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.38

Polar Surface Area

37.603

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3226-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Human Proteases Annotated Library (2868 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Eye
  • 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
  • Proteases

References: we are preparing a list of scientific research reports with 3226-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-0069?
Check Price and Availability of 3226-0069, 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 3226-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-0069
  • 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 3226-0069 available by request