4258-0006 Screening compound: 5,5-diethyl-2-phenyl-4H,5H,6H-naphtho[1,2-d][1,3]oxazin-4-one

4258-0006 Screening compound: 5,5-diethyl-2-phenyl-4H,5H,6H-naphtho[1,2-d][1,3]oxazin-4-one
4258-0006 Screening compound: 5,5-diethyl-2-phenyl-4H,5H,6H-naphtho[1,2-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4258-0006
5,5-diethyl-2-phenyl-4H,5H,6H-naphtho[1,2-d][1,3]oxazin-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

4258-0006

Molecular Formula

C22H21NO2 (C22 H21 NO2)

Compound Name

5,5-diethyl-2-phenyl-4H,5H,6H-naphtho[1,2-d][1,3]oxazin-4-one

IUPAC name

55-diethyl-2-phenyl-4H5H6H-naphtho[12-d][13]oxazin-4-one

SMILES

CCC(CC)(Cc1c2cccc1)C1=C2N=C(c2ccccc2)OC1=O

InChI

InChI=1S/C22H21NO2/c1-3-22(4-2)14-16-12-8-9-13-17(16)19-18(22)21(24)25-20(23-19)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3

InChI Key

MVQUVISFHVBFTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02856370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.74

Polar Surface Area

30.043

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4258-0006 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4258-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4258-0006?
Check Price and Availability of 4258-0006, 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 4258-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4258-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4258-0006
  • 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 4258-0006 available by request