8006-1641 Screening compound: ethyl 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate

8006-1641 Screening compound: ethyl 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate
8006-1641 Screening compound: ethyl 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1641
ethyl 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate

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

8006-1641

Molecular Formula

C30H31NO5 (C30 H31 NO5)

Compound Name

ethyl 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate

IUPAC name

ethyl 2-(4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenoxy)acetate

SMILES

CCOC(COc(ccc(C(C1=C2CC(C)(C)CC1=O)Nc1c2c2ccccc2cc1)c1)c1OC)=O

InChI

InChI=1S/C30H31NO5/c1-5-35-26(33)17-36-24-13-11-19(14-25(24)34-4)29-28-21(15-30(2,3)16-23(28)32)27-20-9-7-6-8-18(20)10-12-22(27)31-29/h6-14,29,31H,5,15-17H2,1-4H3/t29-/m0/s1

InChI Key

YFRLUCPBVBWMMR-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00823636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-6.22

Polar Surface Area

60.307

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8006-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1641?
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What is the minimum amount of 8006-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1641
  • 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 8006-1641 available by request