4558-0090 Screening compound: 8-(4-ethoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

4558-0090 Screening compound: 8-(4-ethoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one
4558-0090 Screening compound: 8-(4-ethoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4558-0090
8-(4-ethoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

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

4558-0090

Molecular Formula

C24H22N2O2 (C24 H22 N2 O2)

Compound Name

8-(4-ethoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

IUPAC name

8-(4-ethoxyphenyl)-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-9-one

SMILES

CCOc1ccc(C(C2=C3CCCC2=O)Nc2c3c3cccnc3cc2)cc1

InChI

InChI=1S/C24H22N2O2/c1-2-28-16-10-8-15(9-11-16)24-23-18(5-3-7-21(23)27)22-17-6-4-14-25-19(17)12-13-20(22)26-24/h4,6,8-14,24,26H,2-3,5,7H2,1H3/t24-/m0/s1

InChI Key

AOCLNGIYNXZXRI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03043342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.43

Polar Surface Area

41.090

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4558-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4558-0090?
Check Price and Availability of 4558-0090, 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 4558-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4558-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4558-0090
  • 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 4558-0090 available by request