8020-0439 Screening compound: 9-methyl-8-phenyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one

8020-0439 Screening compound: 9-methyl-8-phenyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
8020-0439 Screening compound: 9-methyl-8-phenyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0439
9-methyl-8-phenyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-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

8020-0439

Molecular Formula

C18H15NO3 (C18 H15 NO3)

Compound Name

9-methyl-8-phenyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one

IUPAC name

9-methyl-8-phenyl-2H3H6H7H-[14]dioxino[23-g]quinolin-7-one

SMILES

CC(c(cc1OCCOc1c1)c1N1)=C(c2ccccc2)C1=O

InChI

InChI=1S/C18H15NO3/c1-11-13-9-15-16(22-8-7-21-15)10-14(13)19-18(20)17(11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)

InChI Key

PBPOHYWBJFYEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11852019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.27

Polar Surface Area

40.668

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8020-0439 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0439?
Check Price and Availability of 8020-0439, 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 8020-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0439
  • 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 8020-0439 available by request