P505-0543 Screening compound: 1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide

P505-0543 Screening compound: 1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide
P505-0543 Screening compound: 1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-0543
1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-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

P505-0543

Molecular Formula

C16H14N4O2 (C16 H14 N4 O2)

Compound Name

1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-1,4-dihydrocinnoline-3-carboxamide

IUPAC name

1-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-14-dihydrocinnoline-3-carboxamide

SMILES

CN(c1c2cccc1)N=C(C(NCc1cnccc1)=O)C2=O

InChI

InChI=1S/C16H14N4O2/c1-20-13-7-3-2-6-12(13)15(21)14(19-20)16(22)18-10-11-5-4-8-17-9-11/h2-9H,10H2,1H3,(H,18,22)

InChI Key

MTXOZOZGKBYSJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.001

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-1.53

Polar Surface Area

60.711

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P505-0543 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P505-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-0543?
Check Price and Availability of P505-0543, 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 P505-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-0543
  • 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 P505-0543 available by request