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· · COA & SDS available for every product · Same-day shipping on in-stock items MJN228 - Moligand™ , Antagonist of nucleobindin 1, CAS No.M611902, Antagonist of nucleobindin 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.
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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 Specifications & Purity
Moligand™
Mechanism of action
Antagonist of nucleobindin 1
Names and Identifiers Canonical Smiles CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-] IUPAC Name (4-methylpiperazin-1-yl)-(5-nitro-3-phenyl-1H-indol-2-yl)methanone InChIKey BLSWPPPBUQFKHH-UHFFFAOYSA-N INCHI 1S/C20H20N4O3/c1-22-9-11-23(12-10-22)20(25)19-18(14-5-3-2-4-6-14)16-13-15(24(26)27)7-8-17(16)21-19/h2-8,13,21H,9-12H2,1H3 Isomeric SMILES CN1CCN(CC1)C(=O)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 PubChem CID 22660592
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 Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxamides and derivatives Alternative Parents Phenylpyrroles Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds N-methylpiperazines Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxamide derivative - 3-phenylpyrrole - Indole - 2-heteroaryl carboxamide - Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 364.400 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 364.154 Da Monoisotopic Mass 364.154 Da Topological Polar Surface Area 85.200 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 552.000 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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