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· · COA & SDS available for every product · Same-day shipping on in-stock items BAY1238097 - Moligand™ , CAS No.1564268-08-1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
A16881 | UNII-M9ALI41OQR | (4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide | MS-28206 | M9ALI41OQR | BAY 1238097 | GTPL9119 | AKOS040736517 | BAY1238097 | BAY-1238097 | HY-112316 | SCHEMBL1
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
A16881 | UNII-M9ALI41OQR | (4S)-7, 8-dimethoxy-N, 4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4, 5-dihydro-2, 3-benzodiazepine-3-carboxamide | MS-28206 | M9ALI41OQR | BAY 1238097 | GTPL9119 | AKOS040736517 | BAY1238097 | BAY-1238097 | HY-112316 | SCHEMBL1
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles CC1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OC IUPAC Name (4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide InChIKey CJIPEACKIJJYED-KRWDZBQOSA-N INCHI 1S/C25H33N5O3/c1-17-14-19-15-22(32-4)23(33-5)16-21(19)24(27-30(17)25(31)26-2)18-6-8-20(9-7-18)29-12-10-28(3)11-13-29/h6-9,15-17H,10-14H2,1-5H3,(H,26,31)/t17-/m0/s1 Isomeric SMILES C[C@H]1CC2=CC(=C(C=C2C(=NN1C(=O)NC)C3=CC=C(C=C3)N4CCN(CC4)C)OC)OC Alternate CAS 1564268-08-1 PubChem CID 118237331 MeSH Entry Terms BAY 1238097
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines Benzodiazepines Dialkylarylamines Anisoles Aniline and substituted anilines N-methylpiperazines Alkyl aryl ethers Semicarbazides Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Phenylpiperazine - Benzodiazepine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Anisole - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Semicarbazide - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 451.600 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 451.258 Da Monoisotopic Mass 451.258 Da Topological Polar Surface Area 69.600 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 688.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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