S576-0272 Screening compound: 1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S576-0272
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[4-(propan-2-yl)phenyl]methyl}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
S576-0272
Molecular Formula
C20H26N4O2 (C20 H26 N4 O2)
Compound Name
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-3-carboxamide
IUPAC name
1-(1-methyl-6-oxo-16-dihydropyridazin-4-yl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine-3-carboxamide
SMILES
CC(C)c1ccc(CNC(C(CC2)CN2C(C=NN2C)=CC2=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.110
Distribution Coefficient, logD
2.093
Water Solubility, LogSw
-2.54
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
45.00
S576-0272 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S576-0272 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)