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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 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.
개요 Information
AU1235 AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3 .
Targets
MmpL3
Specifications 동의어
Urea,N-tricyclo[3.3.1.13,7]dec-1-yl-N'-(2,3,4-trifluorophenyl)-
생화학 및 생리적 메커니즘
AU1235, an adamantyl urea, is a potent inhibitor of Mycobacterium tuberculosis protein MmpL3.
배송
Dry ice packs + Cold packs
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
제품 특성 ALogP 3.705 hba_count 1 HBD 수 2 회전 가능한 결합 2
이름과 식별자 Pubchem Sid 528763175 정식 스마일 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) 이성체 SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F 분자량 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 분류 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 설명 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.
3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 DMSO(mg/mL) 최대 용해도 10 DMSO(mM) 최대 용해도 30.8318431275822 물(mg/mL) 최대 용해도 ＜1 분자량 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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