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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items AU1235 - 10mM in DMSO , CAS No.1338780-86-1
GRADE & PURITY 10mM in DMSO
Synonyms
Urea,N-tricyclo[3.3.1.13,7]dec-1-yl-N'-(2,3,4-trifluorophenyl)-
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs 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.
Descripción general Information
AU1235 AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3 .
Targets
MmpL3
Specifications Sinónimos
Urea, N-tricyclo[3.3.1.13, 7]dec-1-yl-N'-(2, 3, 4-trifluorophenyl)-
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3.
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Propiedades del producto ALogP 3.705 hba_count 1 Recuento HBD 2 Enlace rotable 2
Nombres e identificadores Sonrisas canónicas C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F IUPAC Name 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea InChIKey PYDHHHKUANVSJV-UHFFFAOYSA-N INCHI 1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23) Isómeros SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F Peso molecular 324.34 Reaxy-Rn 21847673 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21847673&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 Benzenoids Clase Benzene and substituted derivatives Subclass N-phenylureas Intermediate Tree Nodes Not available Direct Parent N-phenylureas Alternative Parents Fluorobenzenes Aryl fluorides Ureas Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Urea - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound Descripción This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas DMSO (mg/ml) Solubilidad máxima 10 DMSO (mM) Solubilidad máxima 30.8318431275822 Agua (mg/ml) Solubilidad máxima ＜1 Peso molecular 324.340 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 324.145 Da Monoisotopic Mass 324.145 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 445.000 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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