6031-1964 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl benzoate

6031-1964 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl benzoate
6031-1964 Screening compound: 4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1964
4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl 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

6031-1964

Molecular Formula

C33H29NO4 (C33 H29 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1=C2C(c(cc3)cc(OC)c3OC(c3ccccc3)=O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C33H29NO4/c1-33(2)18-24-29-23-12-8-7-9-20(23)13-15-25(29)34-31(30(24)26(35)19-33)22-14-16-27(28(17-22)37-3)38-32(36)21-10-5-4-6-11-21/h4-17,31,34H,18-19H2,1-3H3/t31-/m0/s1

InChI Key

KYZZXGOAPNDQRM-HKBQPEDESA-N

MDL Number (MFCD)

MFCD03765249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

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

6.621

Distribution Coefficient, logD

6.621

Water Solubility, LogSw

-7.02

Polar Surface Area

53.027

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.20

References: we are preparing a list of scientific research reports with 6031-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1964?
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What is the minimum amount of 6031-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1964
  • 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 6031-1964 available by request