0820-0752 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H-benzo[a]phenanthridine

0820-0752 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H-benzo[a]phenanthridine
0820-0752 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H-benzo[a]phenanthridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0820-0752
5-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H-benzo[a]phenanthridine

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

0820-0752

Molecular Formula

C24H19NO2 (C24 H19 NO2)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H-benzo[a]phenanthridine

IUPAC name

5-(2H-13-benzodioxol-5-yl)-1H2H3H4H-benzo[a]phenanthridine

SMILES

C1Oc(cc(cc2)-c3nc4ccc(cccc5)c5c4c4c3CCCC4)c2O1

InChI

InChI=1S/C24H19NO2/c1-2-6-17-15(5-1)9-11-20-23(17)18-7-3-4-8-19(18)24(25-20)16-10-12-21-22(13-16)27-14-26-21/h1-2,5-6,9-13H,3-4,7-8,14H2

InChI Key

AMKFUJCVEPYZFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.495

Distribution Coefficient, logD

6.455

Water Solubility, LogSw

-7.46

Polar Surface Area

25.833

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 0820-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0820-0752?
Check Price and Availability of 0820-0752, 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 0820-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0820-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0820-0752
  • 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 0820-0752 available by request