5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮

• 常用名: 5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮
• 英文名: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-ol
• CAS号: 35978-37-1
• 分子量: 246.26000
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₂H₇FN₂OS
• 熔点: N/A
• 闪点: N/A

5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮名称

• 中文名: 5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮
• 英文名: 5-(4-Fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
• 中文别名: 5-(4-氟苯基)-3H-噻吩并[2,3-D]-嘧啶-4-酮

5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮物理化学性质

• 分子式: C₁₂H₇FN₂OS
• 分子量: 246.26000
• 精确质量: 246.02600
• PSA: 73.99000
• LogP: 2.79070
• InChIKey: DARIIFLATJJEOB-UHFFFAOYSA-N
• SMILES: O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12
• 分子结构:

  1、 摩尔折射率：64.84

  2、 摩尔体积（cm³/mol）：164.3

  3、 等张比容（90.2K）：448.1

  4、 表面张力（dyne/cm）：55.2

  5、 极化率（10-24cm3）：25.70

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  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:1

  5.互变异构体数量:4

  6.拓扑分子极性表面积69.7

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:341

  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）：240-242

5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮安全信息

• 海关编码: 2934999090

5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮海关

• 海关编码: 2934999090
• 中文概述: 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮靶点实验

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：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

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：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

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5-(4-氟苯基)-3H-噻吩并[2,3-d]嘧啶-4-酮英文别名

• MFCD00297812
• 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-ol
• 5-(4-fluoro-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
• 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
• 5-(4-fluorophenyl)-3-hydrothiopheno[2,3-d]pyrimidin-4-one