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· · COA & SDS available for every product · Same-day shipping on in-stock items belvarafenib - Moligand™ , RAF serine/threonine protein kinase inhibitor, CAS No.1446113-23-0, RAF serine/threonine protein kinase inhibitor
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
MFCD31731098 | SCHEMBL15066408 | Estrogin | 31M3WLJ3KG | 4-Amino-N-[1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide | D81081 | 4-Amino-N-(1-(3-chloro-2-fluorophenylamino)-6-methylisoquinolin-5-yl)thieno[3,
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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
MFCD31731098 | SCHEMBL15066408 | Estrogin | 31M3WLJ3KG | 4-Amino-N-[1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl]thieno[3, 2-d]pyrimidine-7-carboxamide | D81081 | 4-Amino-N-(1-(3-chloro-2-fluorophenylamino)-6-methylisoquinolin-5-yl)thieno[3,
Specifications & Purity
Moligand™
Mechanism of action
RAF serine/threonine protein kinase inhibitor
Product Properties ALogP 5.121 hba_count 4 HBD Count 3 Rotatable Bond 4
Names and Identifiers Canonical Smiles CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N IUPAC Name 4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide InChIKey KVCQTKNUUQOELD-UHFFFAOYSA-N INCHI 1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29) Isomeric SMILES CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N Alternate CAS 1446113-23-0 Molecular Weight 478.93 Reaxy-Rn 23788636 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23788636&ln=
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 Isoquinolines and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Isoquinolines and derivatives Alternative Parents Thienopyrimidines Pyrimidinecarboxamides Thiophene carboxamides Aniline and substituted anilines Aminopyridines and derivatives Aminopyrimidines and derivatives Fluorobenzenes Chlorobenzenes Aryl chlorides Imidolactams Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoquinoline - Pyrimidinecarboxamide - Thienopyrimidine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aminopyridine - Aminopyrimidine - Chlorobenzene - Imidolactam - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Pyrimidine - Pyridine - Aryl halide - Aryl fluoride - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties DMSO(mg / mL) Max Solubility 96 DMSO(mM) Max Solubility 200.446829390516 Water(mg / mL) Max Solubility ＜1 Molecular Weight 478.900 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 4 Exact Mass 478.078 Da Monoisotopic Mass 478.078 Da Topological Polar Surface Area 134.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 708.000 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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