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WAY-298516 - 10mM in DMSO, high purity , CAS No.103056-35-5
Basic Description
Synonyms
3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione | SMR000116931 | MLS000526457 | 103056-35-5 | 3-Chloro-4-morpholino-1-phenyl-1H-pyrrole-2,5-dione | 3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione | cid_720237 | CHEMBL1497208 | SCHEMBL13186479 | BDBM33446 | DTXSID403
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
modulating rad51; Androgen Receptor modulator; RAD51 inhibitors; antinociceptive activity; RAD51 Inhibitor; GSK-3a/b modulator; cell growth inhibitors; altering the lifespan of a eukaryotic organism; modulating RAD51; Antinociceptive properties;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Alpha amino acids and derivatives Maleimides Benzene and substituted derivatives Morpholines N-substituted carboxylic acid imides Vinylogous halides Vinylogous amides Pyrroles Dicarboximides Trialkylamines Vinyl chlorides Azacyclic compounds Oxacyclic compounds Chloroalkenes Dialkyl ethers Enamines Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Alpha-amino acid or derivatives - Maleimide - Monocyclic benzene moiety - Morpholine - Carboxylic acid imide, n-substituted - Oxazinane - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Vinylogous halide - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Vinyl halide - Vinyl chloride - Oxacycle - Haloalkene - Chloroalkene - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enamine - Ether - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Amine - Organohalogen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
1.215
Rotatable Bond
2
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-chloro-4-morpholin-4-yl-1-phenylpyrrole-2,5-dione
INCHI
InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
VQEIJJHEAFTVHY-UHFFFAOYSA-N
Smiles
C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl
Isomeric SMILES
C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl
PubChem CID
720237
Molecular Weight
292.71762
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
292.720 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
292.061 Da
Monoisotopic Mass
292.061 Da
Topological Polar Surface Area
49.900 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
451.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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