0614-1237 Screening compound: 2-(3,4-dimethoxyphenyl)-4H-3,1-benzoxazin-4-one

0614-1237 Screening compound: 2-(3,4-dimethoxyphenyl)-4H-3,1-benzoxazin-4-one
0614-1237 Screening compound: 2-(3,4-dimethoxyphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0614-1237
2-(3,4-dimethoxyphenyl)-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

0614-1237

Molecular Formula

C16H13NO4 (C16 H13 NO4)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-4H-31-benzoxazin-4-one

SMILES

COc(ccc(C(O1)=Nc(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C16H13NO4/c1-19-13-8-7-10(9-14(13)20-2)15-17-12-6-4-3-5-11(12)16(18)21-15/h3-9H,1-2H3

InChI Key

KLIQNAYCWVTEFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00415424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.07

Polar Surface Area

45.446

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0614-1237 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Eye
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 0614-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0614-1237?
Check Price and Availability of 0614-1237, 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 0614-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0614-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0614-1237
  • 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 0614-1237 available by request