5069-0188 Screening compound: 2,2-dimethyl-5-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

5069-0188 Screening compound: 2,2-dimethyl-5-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
5069-0188 Screening compound: 2,2-dimethyl-5-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5069-0188
2,2-dimethyl-5-phenyl-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

5069-0188

Molecular Formula

C25H23NO (C25 H23 NO)

Compound Name

2,2-dimethyl-5-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

22-dimethyl-5-phenyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c3ccccc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C25H23NO/c1-25(2)14-19-22-18-11-7-6-8-16(18)12-13-20(22)26-24(23(19)21(27)15-25)17-9-4-3-5-10-17/h3-13,24,26H,14-15H2,1-2H3/t24-/m0/s1

InChI Key

CRNRXCHGQPXIJZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00360153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

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

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-6.75

Polar Surface Area

24.932

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

5069-0188 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5069-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5069-0188?
Check Price and Availability of 5069-0188, 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 5069-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5069-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5069-0188
  • 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 5069-0188 available by request