5056-0091 Screening compound: 3-hydroxy-3-(2-oxo-2-phenylethyl)-1-(3-phenylpropyl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of ChemDiv screening compound 5056-0091
3-hydroxy-3-(2-oxo-2-phenylethyl)-1-(3-phenylpropyl)-1,3-dihydro-2H-indol-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
5056-0091
Molecular Formula
C25H23NO3 (C25 H23 NO3)
Compound Name
3-hydroxy-3-(2-oxo-2-phenylethyl)-1-(3-phenylpropyl)-1,3-dihydro-2H-indol-2-one
IUPAC name
3-hydroxy-3-(2-oxo-2-phenylethyl)-1-(3-phenylpropyl)-23-dihydro-1H-indol-2-one
SMILES
OC(CC(c1ccccc1)=O)(c(cccc1)c1N1CCCc2ccccc2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
385.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.002
Distribution Coefficient, logD
4.002
Water Solubility, LogSw
-4.24
Polar Surface Area
44.021
Acid Dissociation Constant (pKa)
14.32
Base Dissociation Constant (pKb)
-2.31
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
20.00
5056-0091 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with 5056-0091 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)