2-[(2-噻吩甲酰基)氨基]乙酸乙酯

• 常用名: 2-[(2-噻吩甲酰基)氨基]乙酸乙酯
• 英文名: Ethyl 2-[(2-thienylcarbonyl)amino]acetate
• CAS号: 39978-25-1
• 分子量: 213.25400
• 密度: 1.237g/cm3
• 沸点: 405.1ºC at 760mmHg
• 分子式: C₉H₁₁NO₃S
• 熔点: 89-91ºC
• 闪点: 198.8ºC

2-[(2-噻吩甲酰基)氨基]乙酸乙酯名称

• 中文名: 2-[(2-噻吩甲酰基)氨基]乙酸乙酯
• 英文名: ethyl 2-(thiophene-2-carbonylamino)acetate

2-[(2-噻吩甲酰基)氨基]乙酸乙酯物理化学性质

• 密度: 1.237g/cm3
• 沸点: 405.1ºC at 760mmHg
• 熔点: 89-91ºC
• 分子式: C₉H₁₁NO₃S
• 分子量: 213.25400
• 闪点: 198.8ºC
• 精确质量: 213.04600
• PSA: 83.64000
• LogP: 1.43190
• InChIKey: XXQPNHJALVNVJT-UHFFFAOYSA-N
• SMILES: CCOC(=O)CNC(=O)c1cccs1
• 折射率: 1.538
• 分子结构:

  1、 摩尔折射率：53.93

  2、 摩尔体积（cm³/mol）：172.2

  3、 等张比容（90.2K）：447.6

  4、 表面张力（dyne/cm）：45.6

  5、 极化率（10-24cm3）：21.38

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:5

  5.互变异构体数量:2

  6.拓扑分子极性表面积83.6

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:220

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.熔点（760 mmHg,ºC）：89~91

2-[(2-噻吩甲酰基)氨基]乙酸乙酯靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

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

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

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：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Dicer-mediated maturation of pre-microRNA 来源：Center for Chemical Genomics, University of Michigan 靶标：N/A External Id：TargetID_659_CEMA

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

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2-[(2-噻吩甲酰基)氨基]乙酸乙酯英文别名

• ethylthienylcarbonylaminoacetate
• MFCD00701883