0820-0385 Screening compound: 5-(4-nitrophenyl)-1H,2H,3H,4H-benzo[a]phenanthridine

0820-0385 Screening compound: 5-(4-nitrophenyl)-1H,2H,3H,4H-benzo[a]phenanthridine
0820-0385 Screening compound: 5-(4-nitrophenyl)-1H,2H,3H,4H-benzo[a]phenanthridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0820-0385
5-(4-nitrophenyl)-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

0820-0385

Molecular Formula

C23H18N2O2 (C23 H18 N2 O2)

Compound Name

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

IUPAC name

5-(4-nitrophenyl)-1H2H3H4H-benzo[a]phenanthridine

SMILES

[O-][N+](c(cc1)ccc1-c1nc2ccc(cccc3)c3c2c2c1CCCC2)=O

InChI

InChI=1S/C23H18N2O2/c26-25(27)17-12-9-16(10-13-17)23-20-8-4-3-7-19(20)22-18-6-2-1-5-15(18)11-14-21(22)24-23/h1-2,5-6,9-14H,3-4,7-8H2

InChI Key

SQUCTZAMSXPJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00359954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.412

Distribution Coefficient, logD

6.410

Water Solubility, LogSw

-7.34

Polar Surface Area

42.099

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

0820-0385 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0820-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0820-0385?
Check Price and Availability of 0820-0385, 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 0820-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0820-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0820-0385
  • 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 0820-0385 available by request