0405-0040 Screening compound: N~1~-acetyl-N~1~-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]acetamide

0405-0040 Screening compound: N~1~-acetyl-N~1~-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]acetamide
0405-0040 Screening compound: N~1~-acetyl-N~1~-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0405-0040
N~1~-acetyl-N~1~-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]acetamide

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

0405-0040

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

N~1~-acetyl-N~1~-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]acetamide

IUPAC name

N-acetyl-N-[8-(morpholin-4-yl)-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl]acetamide

SMILES

CC(N(C(C)=O)N(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O)=O

InChI

InChI=1S/C20H19N3O5/c1-12(24)22(13(2)25)23-19(26)15-5-3-4-14-17(21-8-10-28-11-9-21)7-6-16(18(14)15)20(23)27/h3-7H,8-11H2,1-2H3

InChI Key

WLXMYYHJRQZGGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.671

Distribution Coefficient, logD

0.671

Water Solubility, LogSw

-2.37

Polar Surface Area

72.656

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0405-0040 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0405-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0405-0040?
Check Price and Availability of 0405-0040, 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 0405-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0405-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0405-0040
  • 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 0405-0040 available by request