C429-0372 Screening compound: ethyl 4-(1-{[4-(morpholine-4-sulfonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound C429-0372
ethyl 4-(1-{[4-(morpholine-4-sulfonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
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
C429-0372
Molecular Formula
C26H32N4O6S (C26 H32 N4 O6 S)
Compound Name
ethyl 4-(1-{[4-(morpholine-4-sulfonyl)phenyl]amino}-3-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
IUPAC name
ethyl 4-(1-{[4-(morpholine-4-sulfonyl)phenyl]amino}-3-oxo-23-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
SMILES
CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
528.63
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
3.038
Distribution Coefficient, logD
3.038
Water Solubility, LogSw
-3.61
Polar Surface Area
86.623
Acid Dissociation Constant (pKa)
15.46
Base Dissociation Constant (pKb)
0.53
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
C429-0372 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Kinases
References: we are preparing a list of scientific research reports with C429-0372 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)