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· · COA & SDS available for every product · Same-day shipping on in-stock items Sudoterb - Moligand™,≥98% , CAS No.676266-31-2
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. ≥98% Synonyms
N-(2-Methyl-5-phenyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-1H-pyrrol-1-yl)isonicotinamide | LL 3858
Storage
Store at 2-8°C,Protected from light,Desiccated
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Why this grade Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.
Overview Sudoterb (LL 3858) is an orally active anti-Tuberculosis agent.
Specifications Synonyms
N-(2-Methyl-5-phenyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-1H-pyrrol-1-yl)isonicotinamide | LL 3858
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F IUPAC Name N-[2-methyl-5-phenyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide InChIKey PRXZOPNJRFEGRH-UHFFFAOYSA-N INCHI 1S/C29H28F3N5O/c1-21-24(20-35-14-16-36(17-15-35)26-9-5-8-25(19-26)29(30,31)32)18-27(22-6-3-2-4-7-22)37(21)34-28(38)23-10-12-33-13-11-23/h2-13,18-19H,14-17,20H2,1H3,(H,34,38) Isomeric SMILES CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F Alternate CAS 676266-31-2 MeSH Entry Terms LL 3858;LL-3858;LL3858;sudoterb Molecular Weight 519.56
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 Phenylpyrroles Trifluoromethylbenzenes Pyridinecarboxamides Aniline and substituted anilines Dialkylarylamines Aralkylamines N-alkylpiperazines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Alkyl fluorides Organofluorides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - 2-phenylpyrrole - Trifluoromethylbenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Amine - Aromatic heteromonocyclic 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 519.600 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 519.225 Da Monoisotopic Mass 519.225 Da Topological Polar Surface Area 53.400 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 762.000 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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