P681-0158 Screening compound: 5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
Chemical Structure Depiction of ChemDiv screening compound P681-0158
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
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
P681-0158
Molecular Formula
C22H24N2O4 (C22 H24 N2 O4)
Compound Name
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
IUPAC name
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]-12-dihydrospiro[indole-33'-pyrrolidin]-2-one
SMILES
COc1ccc(CCC(N(CC2)CC2(c(cc(cc2)OC)c2N2)C2=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
380.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.964
Distribution Coefficient, logD
2.964
Water Solubility, LogSw
-3.49
Polar Surface Area
56.718
Acid Dissociation Constant (pKa)
12.51
Base Dissociation Constant (pKb)
-0.94
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
P681-0158 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
CNS MPO Library (28609 compounds)
KRAS-Targeted Library (16000 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Spiro Library (21655 compounds)
Targeted Diversity Library (40567 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- Kinases
- Proteases
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P681-0158 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)