4305-0106 Screening compound: 2-allyl-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

4305-0106 Screening compound: 2-allyl-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione
4305-0106 Screening compound: 2-allyl-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4305-0106
2-allyl-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

4305-0106

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

2-allyl-6-morpholino-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

8-(morpholin-4-yl)-3-(prop-2-en-1-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

C=CCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C19H18N2O3/c1-2-8-21-18(22)14-5-3-4-13-16(20-9-11-24-12-10-20)7-6-15(17(13)14)19(21)23/h2-7H,1,8-12H2

InChI Key

HXBXMNCIDQBCHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00387946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

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

2.785

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.59

Polar Surface Area

40.164

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4305-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4305-0106?
Check Price and Availability of 4305-0106, 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 4305-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4305-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4305-0106
  • 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 4305-0106 available by request