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· · COA & SDS available for every product · Same-day shipping on in-stock items NNC052090 - Moligand™ , Inhibitor of BGT1, CAS No.N612335, Inhibitor of BGT1
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
Inhibitor of BGT1
Names and Identifiers Canonical Smiles COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2 IUPAC Name 1-[3-(9H-carbazol-9-yl)propyl]-4-(2-methoxyphenyl)piperidin-4-ol InChIKey XZZYCJOGZYEPPW-UHFFFAOYSA-N INCHI 1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3 Isomeric SMILES COC1=CC=CC=C1C2(CCN(CC2)CCCN3C4=CC=CC=C4C5=CC=CC=C53)O PubChem CID 9888030
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 Carbazoles Intermediate Tree Nodes Not available Direct Parent Carbazoles Alternative Parents Phenylpiperidines N-alkylindoles Indoles Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Tertiary alcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Carbazole - Phenylpiperidine - N-alkylindole - Indole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Substituted pyrrole - Piperidine - Monocyclic benzene moiety - Tertiary alcohol - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 414.500 g/mol XLogP3 4.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 414.231 Da Monoisotopic Mass 414.231 Da Topological Polar Surface Area 37.600 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 554.000 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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