3850-0084 Screening compound: 2,2-dimethyl-5-(pyridin-4-yl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

3850-0084 Screening compound: 2,2-dimethyl-5-(pyridin-4-yl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
3850-0084 Screening compound: 2,2-dimethyl-5-(pyridin-4-yl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3850-0084
2,2-dimethyl-5-(pyridin-4-yl)-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

3850-0084

Molecular Formula

C24H22N2O (C24 H22 N2 O)

Compound Name

2,2-dimethyl-5-(pyridin-4-yl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

22-dimethyl-5-(pyridin-4-yl)-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c3ccncc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C24H22N2O/c1-24(2)13-18-21-17-6-4-3-5-15(17)7-8-19(21)26-23(22(18)20(27)14-24)16-9-11-25-12-10-16/h3-12,23,26H,13-14H2,1-2H3/t23-/m0/s1

InChI Key

PVGDHAQWLBCSKT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01995889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.60

Polar Surface Area

34.360

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3850-0084 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3850-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3850-0084?
Check Price and Availability of 3850-0084, 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 3850-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3850-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3850-0084
  • 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 3850-0084 available by request