P505-0546 Screening compound: N-benzyl-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxamide

P505-0546 Screening compound: N-benzyl-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxamide
P505-0546 Screening compound: N-benzyl-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-0546
N-benzyl-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxamide

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

P505-0546

Molecular Formula

C17H15N3O2 (C17 H15 N3 O2)

Compound Name

N-benzyl-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxamide

IUPAC name

N-benzyl-1-methyl-4-oxo-14-dihydrocinnoline-3-carboxamide

SMILES

CN(c1c2cccc1)N=C(C(NCc1ccccc1)=O)C2=O

InChI

InChI=1S/C17H15N3O2/c1-20-14-10-6-5-9-13(14)16(21)15(19-20)17(22)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)

InChI Key

QZUNLUFXHMNQFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.95

Polar Surface Area

51.193

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P505-0546 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P505-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-0546?
Check Price and Availability of P505-0546, 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 P505-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-0546
  • 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 P505-0546 available by request