3257-4649 Screening compound: 2-(4-chlorophenyl)-4H-3,1-benzoxazin-4-one

3257-4649 Screening compound: 2-(4-chlorophenyl)-4H-3,1-benzoxazin-4-one
3257-4649 Screening compound: 2-(4-chlorophenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4649
2-(4-chlorophenyl)-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

3257-4649

Molecular Formula

C14H8ClNO2 (C14 H8 ClNO2)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-4H-31-benzoxazin-4-one

SMILES

O=C1OC(c(cc2)ccc2Cl)=Nc2c1cccc2

InChI

InChI=1S/C14H8ClNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H

InChI Key

OMXNVOLVJFGYGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00126064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.68

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

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-4.13

Polar Surface Area

30.186

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3257-4649 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Others
  • Proteases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3257-4649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4649?
Check Price and Availability of 3257-4649, 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 3257-4649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4649
  • 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 3257-4649 available by request