N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide

• 常用名: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
• 英文名: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide
• CAS号: 67817-56-5
• 分子量: 400.45200
• 密度: 1.39g/cm3
• 沸点: 580.9ºC at 760 mmHg
• 分子式: C₁₉H₂₀N₄O₄S
• 熔点: N/A
• 闪点: 305.1ºC

名称

• 英文名: N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide

物理化学性质

• 密度: 1.39g/cm3
• 沸点: 580.9ºC at 760 mmHg
• 分子式: C₁₉H₂₀N₄O₄S
• 分子量: 400.45200
• 闪点: 305.1ºC
• 精确质量: 400.12100
• PSA: 123.06000
• LogP: 2.27208
• InChIKey: ILZRBDINNIEUIY-UHFFFAOYSA-N
• SMILES: COc1cc(C#N)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1OC
• 折射率: 1.655

靶点实验

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实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

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实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas... 来源：Broad Institute 靶标：N/A External Id：2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima... 来源：NCGC 靶标：apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7] External Id：AMA1100

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：abhydrolase domain-containing protein 4 isoform 1 [Mus musculus] External Id：ABHD4_INH_FP_1536_1X%INH PRUN

实验名称：Identification of agents that induce E-selectin on human endothelial cells Measured i... 来源：Broad Institute 靶标：E-Selectin External Id：2152-01_Activator_SinglePoint_HTS_Activity

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英文别名

• 4-(furan-2-carbonyl)-piperazine-1-carbothioic acid 2-cyano-4,5-dimethoxy-anilide
• 1-Piperazinecarbothioamide,N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)
• 3,4-Dimethoxy-6-<4-(2-furoyl)piperazin-1-ylthiocarbamido>benzonitrile