3454-0108 Screening compound: 4,5-dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
Chemical Structure Depiction of ChemDiv screening compound 3454-0108
4,5-dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
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
3454-0108
Molecular Formula
C17H15NO4 (C17 H15 NO4)
Compound Name
4,5-dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC name
45-dimethoxy-2-(3-methylphenyl)-23-dihydro-1H-isoindole-13-dione
SMILES
Cc1cccc(N(C(c(c2c3OC)ccc3OC)=O)C2=O)c1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
297.31
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.293
Distribution Coefficient, logD
2.293
Water Solubility, LogSw
-2.88
Polar Surface Area
44.227
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
-5.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
3454-0108 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Agro
References: we are preparing a list of scientific research reports with 3454-0108 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)