C447-1071 Screening compound: 2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C447-1071
2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-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
C447-1071
Molecular Formula
C24H28N2O2 (C24 H28 N2 O2)
Compound Name
2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
IUPAC name
2-cyclohexyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-23-dihydro-1H-isoindole-4-carboxamide
SMILES
Cc1cccc(CCNC(c(cccc2CN3C4CCCCC4)c2C3=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.682
Distribution Coefficient, logD
4.682
Water Solubility, LogSw
-4.50
Polar Surface Area
40.527
Acid Dissociation Constant (pKa)
13.01
Base Dissociation Constant (pKb)
-2.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
C447-1071 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
CORONAVIRUS Library (20774 compounds)
PLpro Library (6343 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Antiviral
- Infections
- Immune system
- Eye
- Antiviral
- Infections
- Immune system
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with C447-1071 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)