7399-0513 Screening compound: 5-(4-methoxybenzoyl)-6,6,8-trimethyl-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

7399-0513 Screening compound: 5-(4-methoxybenzoyl)-6,6,8-trimethyl-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline
7399-0513 Screening compound: 5-(4-methoxybenzoyl)-6,6,8-trimethyl-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0513
5-(4-methoxybenzoyl)-6,6,8-trimethyl-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

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

7399-0513

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

5-(4-methoxybenzoyl)-6,6,8-trimethyl-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

IUPAC name

5-(4-methoxybenzoyl)-668-trimethyl-2H5H6H-[13]dioxolo[45-g]quinoline

SMILES

CC1(C)N(C(c(cc2)ccc2OC)=O)c(cc2OCOc2c2)c2C(C)=C1

InChI

InChI=1S/C21H21NO4/c1-13-11-21(2,3)22(20(23)14-5-7-15(24-4)8-6-14)17-10-19-18(9-16(13)17)25-12-26-19/h5-11H,12H2,1-4H3

InChI Key

QXRYUGUMVPEQQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.46

Polar Surface Area

38.983

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7399-0513 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7399-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0513?
Check Price and Availability of 7399-0513, 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 7399-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0513
  • 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 7399-0513 available by request