6031-1942 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate

6031-1942 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate
6031-1942 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1942
4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate

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

6031-1942

Molecular Formula

C31H33NO4 (C31 H33 NO4)

Compound Name

4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate

IUPAC name

4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl pentanoate

SMILES

CCCCC(Oc(ccc(C(C1=C2CC(C)(C)CC1=O)Nc1c2c2ccccc2cc1)c1)c1OC)=O

InChI

InChI=1S/C31H33NO4/c1-5-6-11-27(34)36-25-15-13-20(16-26(25)35-4)30-29-22(17-31(2,3)18-24(29)33)28-21-10-8-7-9-19(21)12-14-23(28)32-30/h7-10,12-16,30,32H,5-6,11,17-18H2,1-4H3/t30-/m0/s1

InChI Key

SWUBBMOFRMAOSP-PMERELPUSA-N

MDL Number (MFCD)

MFCD14711154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.596

Distribution Coefficient, logD

6.596

Water Solubility, LogSw

-6.92

Polar Surface Area

52.703

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with 6031-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1942?
Check Price and Availability of 6031-1942, 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 6031-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1942
  • 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 6031-1942 available by request