4748-0806 Screening compound: 1-(2-oxo-1-phenyl-2,5-dihydro-1H-pyrido[3,2-b]indol-3-yl)pyridinium

4748-0806 Screening compound: 1-(2-oxo-1-phenyl-2,5-dihydro-1H-pyrido[3,2-b]indol-3-yl)pyridinium
4748-0806 Screening compound: 1-(2-oxo-1-phenyl-2,5-dihydro-1H-pyrido[3,2-b]indol-3-yl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4748-0806
1-(2-oxo-1-phenyl-2,5-dihydro-1H-pyrido[3,2-b]indol-3-yl)pyridinium

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

4748-0806

Molecular Formula

C22H16N3O (C22 H16 N3 O)

Compound Name

1-(2-oxo-1-phenyl-2,5-dihydro-1H-pyrido[3,2-b]indol-3-yl)pyridinium

IUPAC name

1-{2-oxo-1-phenyl-1H2H5H-pyrido[32-b]indol-3-yl}-1lambda5-pyridin-1-ylium

SMILES

O=C(C([n+]1ccccc1)=Cc1c2c(cccc3)c3[nH]1)N2c1ccccc1

InChI

InChI=1S/C22H15N3O/c26-22-20(24-13-7-2-8-14-24)15-19-21(17-11-5-6-12-18(17)23-19)25(22)16-9-3-1-4-10-16/h1-15H/p+1

InChI Key

JUBAKYUQMLCVDH-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03010758

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.82

Polar Surface Area

29.431

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4748-0806 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4748-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4748-0806?
Check Price and Availability of 4748-0806, 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 4748-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4748-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4748-0806
  • 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 4748-0806 available by request