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· · COA & SDS available for every product · Same-day shipping on in-stock items Home By Target/Pathway/Disease Ligand families Activin and Inhibin 1H-1,2,4-Triazole-1-propanamide, 3-((2,2-difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)- , Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator, CAS No.953428-73-4, Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator 1H-1,2,4-Triazole-1-propanamide, 3-((2,2-difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)- , Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator, CAS No.953428-73-4, Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator
Synonyms
JNJ-39393406 | CHEMBL3545291 | 1H-1,2,4-Triazole-1-propanamide, 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N,N-dimethyl-5-(4-pyridinyl)- | T930SOU82P | DB11867 | IURMHZBQEYNQOH-UHFFFAOYSA-N | UNII-T930SOU82P | AKOS040748630 | 3-(3-((2,2-difluoro-1,3-ben
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Why this grade 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
JNJ-39393406 | CHEMBL3545291 | 1H-1, 2, 4-Triazole-1-propanamide, 3-[(2, 2-difluoro-1, 3-benzodioxol-5-yl)amino]-N, N-dimethyl-5-(4-pyridinyl)- | T930SOU82P | DB11867 | IURMHZBQEYNQOH-UHFFFAOYSA-N | UNII-T930SOU82P | AKOS040748630 | 3-(3-((2, 2-difluoro-1, 3-ben
Action Type
POSITIVE ALLOSTERIC MODULATOR
Mechanism of action
Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator
Product Properties Names and Identifiers Canonical Smiles CN(C)C(=O)CCN1C(=NC(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)C4=CC=NC=C4 IUPAC Name 3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-pyridin-4-yl-1,2,4-triazol-1-yl]-N,N-dimethylpropanamide InChIKey IURMHZBQEYNQOH-UHFFFAOYSA-N INCHI 1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25) Isomeric SMILES CN(C)C(=O)CCN1C(=NC(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)C4=CC=NC=C4 PubChem CID 16755766 Molecular Weight 416.4
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 Pyridines and derivatives Subclass Pyridyltriazoles Intermediate Tree Nodes Not available Direct Parent Pyridyl-1,2,4-triazoles Alternative Parents Benzodioxoles Benzenoids Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyridyl-1,2,4-triazole - Benzodioxole - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Triazole - 1,2,4-triazole - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Secondary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 416.400 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 6 Exact Mass 416.141 Da Monoisotopic Mass 416.141 Da Topological Polar Surface Area 94.400 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 607.000 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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