S576-0217 Screening compound: N-benzyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidine-3-carboxamide

S576-0217 Screening compound: N-benzyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidine-3-carboxamide
S576-0217 Screening compound: N-benzyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0217
N-benzyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidine-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

S576-0217

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

N-benzyl-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidine-3-carboxamide

IUPAC name

N-benzyl-1-(1-methyl-6-oxo-16-dihydropyridazin-4-yl)pyrrolidine-3-carboxamide

SMILES

CN1N=CC(N(CC2)CC2C(NCc2ccccc2)=O)=CC1=O

InChI

InChI=1S/C17H20N4O2/c1-20-16(22)9-15(11-19-20)21-8-7-14(12-21)17(23)18-10-13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10,12H2,1H3,(H,18,23)/t14-/m1/s1

InChI Key

MAXMSXCVJZGPRW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31985395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.771

Distribution Coefficient, logD

0.755

Water Solubility, LogSw

-1.52

Polar Surface Area

57.157

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

S576-0217 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S576-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0217?
Check Price and Availability of S576-0217, 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 S576-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0217
  • 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 S576-0217 available by request