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· · COA & SDS available for every product · Same-day shipping on in-stock items CRA1000 - Moligand™ , Antagonist of CRF 1 receptor, CAS No.226948-11-4, Antagonist of CRF 1 receptor
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
Q27076916 | 3899V9A17F | CRA1000 | CRA-1000 | N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine | PDSP1_001727 | GTPL3498 | AKOS040748180 | 2-Pyrimidinamine, N-ethyl-4-(4-(3-fluor
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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
Q27076916 | 3899V9A17F | CRA1000 | CRA-1000 | N-ethyl-4-[4-(3-fluorophenyl)-3, 6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine | PDSP1_001727 | GTPL3498 | AKOS040748180 | 2-Pyrimidinamine, N-ethyl-4-(4-(3-fluor
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of CRF 1 receptor
Names and Identifiers Canonical Smiles CCN(c1ccc(cc1SC)C(C)C)c1nc(cc(n1)C)N1CCC(=CC1)c1cccc(c1)F IUPAC Name N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine InChIKey DDSMCPASYQDKFS-UHFFFAOYSA-N INCHI 1S/C28H33FN4S/c1-6-33(25-11-10-22(19(2)3)18-26(25)34-5)28-30-20(4)16-27(31-28)32-14-12-21(13-15-32)23-8-7-9-24(29)17-23/h7-12,16-19H,6,13-15H2,1-5H3 Isomeric SMILES CCN(C1=C(C=C(C=C1)C(C)C)SC)C2=NC(=CC(=N2)N3CCC(=CC3)C4=CC(=CC=C4)F)C PubChem CID 9849313
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 Organic nitrogen compounds Class Organonitrogen compounds Subclass Amines Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines Direct Parent Alkyldiarylamines Alternative Parents Phenylpropanes Cumenes Thiophenol ethers Aniline and substituted anilines Dialkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Hydropyridines Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organofluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyldiarylamine - Cumene - Phenylpropane - Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Hydropyridine - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Thioether - Azacycle - Sulfenyl compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organosulfur compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 476.700 g/mol XLogP3 7.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 7 Exact Mass 476.241 Da Monoisotopic Mass 476.241 Da Topological Polar Surface Area 57.600 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 673.000 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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