| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B420296-1ml |
1ml |
现货  |
|
| 规格或纯度 | 10mM in DMSO |
|---|---|
| 英文名称 | 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
KCNQ1 potassium channel activator; altering the lifespan of a eukaryotic organism; |
| ALogP | 3.563 |
|---|---|
| hba_count | 5 |
| HBD Count | 1 |
| Rotatable Bond | 6 |
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide |
| INCHI | InChI=1S/C22H23N3O4S2/c1-29-17-12-10-16(11-13-17)19-15-30-22(23-19)24-21(26)20-9-5-6-14-25(20)31(27,28)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,20H,5-6,9,14H2,1H3,(H,23,24,26) |
| InChi Key | UUTYPVHYRISWDI-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4 |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4 |
| 分子量 | 457.57 |
| Reaxy-Rn | 22966443 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22966443&ln= |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| 分子量 | 457.600 g/mol |
| XLogP3 | 3.900 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 457.113 Da |
| 单同位素质量Monoisotopic Mass | 457.113 Da |
| 拓扑极表面积Topological Polar Surface Area | 125.000 Ų |
| 重原子数Heavy Atom Count | 31 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 700.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 1 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Reaxy-Rn | 22966443 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22966443&ln= |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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