S932-2432 Screening compound: 2-{3-[4-(ethoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carbonyl}quinoline
Chemical Structure Depiction of ChemDiv screening compound S932-2432
2-{3-[4-(ethoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carbonyl}quinoline
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
S932-2432
Molecular Formula
C19H21N5O2 (C19 H21 N5 O2)
Compound Name
2-{3-[4-(ethoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carbonyl}quinoline
IUPAC name
2-{3-[4-(ethoxymethyl)-1H-123-triazol-1-yl]pyrrolidine-1-carbonyl}quinoline
SMILES
CCOCc1cn(C(CC2)CN2C(c2nc3ccccc3cc2)=O)nn1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.41
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.842
Distribution Coefficient, logD
1.842
Water Solubility, LogSw
-2.36
Polar Surface Area
60.077
Acid Dissociation Constant (pKa)
24.90
Base Dissociation Constant (pKb)
3.27
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.80
S932-2432 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Mimetics
- Cyclic compounds
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with S932-2432 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)