6031-1921 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl butanoate

6031-1921 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl butanoate
6031-1921 Screening compound: 2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1921
2-methoxy-4-{4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenyl butanoate

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

6031-1921

Molecular Formula

C28H27NO4 (C28 H27 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Oc(ccc(C(C1=C2CCCC1=O)Nc1c2c2ccccc2cc1)c1)c1OC)=O

InChI

InChI=1S/C28H27NO4/c1-3-7-25(31)33-23-15-13-18(16-24(23)32-2)28-27-20(10-6-11-22(27)30)26-19-9-5-4-8-17(19)12-14-21(26)29-28/h4-5,8-9,12-16,28-29H,3,6-7,10-11H2,1-2H3/t28-/m0/s1

InChI Key

UEOQDOBFGOJTCW-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03765541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-6.87

Polar Surface Area

52.703

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 6031-1921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1921?
Check Price and Availability of 6031-1921, 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 6031-1921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1921
  • 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 6031-1921 available by request