C533-1322 Screening compound: N-(3-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C533-1322
N-(3-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-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
C533-1322
Molecular Formula
C19H23NO3 (C19 H23 NO3)
Compound Name
N-(3-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
IUPAC name
N-(3-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILES
CCc1cccc(NC(C(C2(CCCCC2)O2)=C(C)C2=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
313.4
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.993
Distribution Coefficient, logD
3.993
Water Solubility, LogSw
-4.06
Polar Surface Area
44.155
Acid Dissociation Constant (pKa)
11.39
Base Dissociation Constant (pKb)
3.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.40
C533-1322 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Cyclic compounds
- Eye
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with C533-1322 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)