C447-0529 Screening compound: N-(2,5-dimethoxyphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C447-0529
N-(2,5-dimethoxyphenyl)-3-oxo-2-propyl-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
C447-0529
Molecular Formula
C20H22N2O4 (C20 H22 N2 O4)
Compound Name
N-(2,5-dimethoxyphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
IUPAC name
N-(25-dimethoxyphenyl)-3-oxo-2-propyl-23-dihydro-1H-isoindole-4-carboxamide
SMILES
CCCN(Cc1cccc(C(Nc(cc(cc2)OC)c2OC)=O)c11)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.41
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.043
Distribution Coefficient, logD
3.023
Water Solubility, LogSw
-3.50
Polar Surface Area
54.702
Acid Dissociation Constant (pKa)
8.72
Base Dissociation Constant (pKb)
-1.88
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
C447-0529 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with C447-0529 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)