S579-0242 Screening compound: 2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound S579-0242
2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N-phenylacetamide
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
S579-0242
Molecular Formula
C17H20N2O2 (C17 H20 N2 O2)
Compound Name
2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N-phenylacetamide
IUPAC name
2-(1-methyl-2-oxo-245677a-hexahydro-1H-indol-3-yl)-N-phenylacetamide
SMILES
CN(C(CCCC1)C1=C1CC(Nc2ccccc2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
284.36
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.019
Distribution Coefficient, logD
2.019
Water Solubility, LogSw
-2.38
Polar Surface Area
39.168
Acid Dissociation Constant (pKa)
12.49
Base Dissociation Constant (pKb)
2.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.18
S579-0242 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with S579-0242 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)