0820-0882 Screening compound: 4-{1H,2H,3H,4H-benzo[a]phenanthridin-5-yl}phenol

0820-0882 Screening compound: 4-{1H,2H,3H,4H-benzo[a]phenanthridin-5-yl}phenol
0820-0882 Screening compound: 4-{1H,2H,3H,4H-benzo[a]phenanthridin-5-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0820-0882
4-{1H,2H,3H,4H-benzo[a]phenanthridin-5-yl}phenol

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

0820-0882

Molecular Formula

C23H19NO (C23 H19 NO)

Compound Name

4-{1H,2H,3H,4H-benzo[a]phenanthridin-5-yl}phenol

IUPAC name

4-{1H2H3H4H-benzo[a]phenanthridin-5-yl}phenol

SMILES

Oc(cc1)ccc1-c1nc2ccc(cccc3)c3c2c2c1CCCC2

InChI

InChI=1S/C23H19NO/c25-17-12-9-16(10-13-17)23-20-8-4-3-7-19(20)22-18-6-2-1-5-15(18)11-14-21(22)24-23/h1-2,5-6,9-14,25H,3-4,7-8H2

InChI Key

SZOXIKCSJTUCRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.867

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-7.02

Polar Surface Area

26.334

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

0820-0882 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0820-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0820-0882?
Check Price and Availability of 0820-0882, 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 0820-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0820-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0820-0882
  • 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 0820-0882 available by request