P681-0385 Screening compound: 1'-(3,4-dimethoxybenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
Chemical Structure Depiction of ChemDiv screening compound P681-0385
1'-(3,4-dimethoxybenzoyl)-5-methoxy-1-methyl-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
P681-0385
Molecular Formula
C22H24N2O5 (C22 H24 N2 O5)
Compound Name
1'-(3,4-dimethoxybenzoyl)-5-methoxy-1-methyl-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-2-one
IUPAC name
1'-(34-dimethoxybenzoyl)-5-methoxy-1-methyl-12-dihydrospiro[indole-33'-pyrrolidin]-2-one
SMILES
CN(C(C1(CC2)CN2C(c(cc2)cc(OC)c2OC)=O)=O)c(cc2)c1cc2OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
396.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.789
Distribution Coefficient, logD
1.789
Water Solubility, LogSw
-2.56
Polar Surface Area
55.225
Acid Dissociation Constant (pKa)
23.64
Base Dissociation Constant (pKb)
-2.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
P681-0385 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
CNS MPO Library (28609 compounds)
Hsp90-Targeted Library (11355 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)
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
- Male
- Female
- Hemic and lymphatic
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Proteases
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P681-0385 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)