0227-0597 Screening compound: dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate

0227-0597 Screening compound: dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate
0227-0597 Screening compound: dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0227-0597
dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate

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

0227-0597

Molecular Formula

C35H47N2O5P (C35 H47 N2 O5 P)

Compound Name

dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate

IUPAC name

dioctyl [({24-dioxo-3-phenyl-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)5(13)6810-pentaen-8-yl}amino)methyl]phosphonate

SMILES

CCCCCCCCOP(CNc(c1cccc(C(N2c3ccccc3)=O)c11)ccc1C2=O)(OCCCCCCCC)=O

InChI

InChI=1S/C35H47N2O5P/c1-3-5-7-9-11-16-25-41-43(40,42-26-17-12-10-8-6-4-2)27-36-32-24-23-31-33-29(32)21-18-22-30(33)34(38)37(35(31)39)28-19-14-13-15-20-28/h13-15,18-24,36H,3-12,16-17,25-27H2,1-2H3

InChI Key

IGHGJNVNSZEYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.045

Distribution Coefficient, logD

9.045

Water Solubility, LogSw

-6.32

Polar Surface Area

67.435

Acid Dissociation Constant (pKa)

17.50

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.60

0227-0597 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0227-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0227-0597?
Check Price and Availability of 0227-0597, 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 0227-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0227-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0227-0597
  • 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 0227-0597 available by request