6031-1963 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl benzoate

6031-1963 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl benzoate
6031-1963 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1963
2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl benzoate

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

6031-1963

Molecular Formula

C31H25NO4 (C31 H25 NO4)

Compound Name

2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl benzoate

IUPAC name

2-methoxy-4-{4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}phenyl benzoate

SMILES

COc(cc(C(C1=C2CCCC1=O)Nc1c2c2ccccc2cc1)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C31H25NO4/c1-35-27-18-21(15-17-26(27)36-31(34)20-9-3-2-4-10-20)30-29-23(12-7-13-25(29)33)28-22-11-6-5-8-19(22)14-16-24(28)32-30/h2-6,8-11,14-18,30,32H,7,12-13H2,1H3/t30-/m0/s1

InChI Key

PHUMXRXYEVVIJT-PMERELPUSA-N

MDL Number (MFCD)

MFCD03765248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

6.188

Water Solubility, LogSw

-6.95

Polar Surface Area

53.027

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with 6031-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1963?
Check Price and Availability of 6031-1963, 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 6031-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1963
  • 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 6031-1963 available by request