8009-2628 Screening compound: 5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

8009-2628 Screening compound: 5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
8009-2628 Screening compound: 5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2628
5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-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

8009-2628

Molecular Formula

C27H26ClNO3 (C27 H26 ClNO3)

Compound Name

5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-(3-chloro-5-ethoxy-4-hydroxyphenyl)-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CCOc1cc(C(C2=C3CC(C)(C)CC2=O)Nc2c3c3ccccc3cc2)cc(Cl)c1O

InChI

InChI=1S/C27H26ClNO3/c1-4-32-22-12-16(11-19(28)26(22)31)25-24-18(13-27(2,3)14-21(24)30)23-17-8-6-5-7-15(17)9-10-20(23)29-25/h5-12,25,29,31H,4,13-14H2,1-3H3/t25-/m0/s1

InChI Key

YICPRIVRYRCVKF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01572667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.604

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-5.99

Polar Surface Area

47.621

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

8009-2628 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-2628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2628?
Check Price and Availability of 8009-2628, 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 8009-2628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2628
  • 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 8009-2628 available by request