5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00015193051 (In-Stock Building Blocks)
- CAS
- 1431866-33-9
- MFCD
- MFCD25372044, MFCD28044305
- IUPAC Name
- 5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
- Mol formula
- C31H29N5O3S2
- Mol weight
- 584 Da
- Catalog Number(s)
- 152581, A3935, ACS-1739, AG-11531, AGN-PC-0WNO4L, AS-16781, CD31003499, CSC015193051, EN300-19767266, T13337L
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.24
- Heavy atoms count
- 41
- Rotatable bond count
- 10
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.225
- Polar surface area (Å)
- 123
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 3
![Chemical structure of 5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid (C31H29N5O3S2) - CSSB00015193051](/st/structure/200/36209827d6a0c8bf77f1c0c258c1c390/NCC1%253DCC%253DC%2528OCCCC2%253DC%2528N%253DC%2528S2%2529C2%253DCC%253DC3CCCC%2528%253DNNC4%253DNC5%253DCC%253DCC%253DC5S4%2529C3%253DC2%2529C%2528O%2529%253DO%2529C%253DC1.png "C31H29N5O3S2")
- Zoom the structure
- CSSB00015193051
Items Overall 5 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 25 mg | 410.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 50 mg | 620.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 100 mg | 990.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 97 | 250 mg | 1,685.00 | |
Description: CAS: 1431866-33-9 | ||||||
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 95 | 100 mg | 3,964.40 | |
For a custom pack size or bulk
please drop us a line:Enquire
please drop us a line:Enquire
Substructure Analogs
![Chemical structure of 5-{3-[4-(aminomethyl)phenoxy]propyl}-2-[(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl]-1,3-thiazole-4-carboxylic acid - CSSB02125553784](/st/structure/200/22a3d3f50ef4553d3ae00542d39ec7e4/NCC1%253DCC%253DC%2528OCCCC2%253DC%2528N%253DC%2528S2%2529C2%253DCC%253DC3CCC%255CC%2528%253DN%252FNC4%253DNC5%253DCC%253DCC%253DC5S4%2529C3%253DC2%2529C%2528O%2529%253DO%2529C%253DC1.png)
![Chemical structure of 5-{3-[4-(aminomethyl)phenoxy]propyl}-2-{8-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid hydrochloride - CSSB06633789022](/st/structure/200/2fa8bd855266e371ed1da126be67f5df/Cl.NCc1ccc%2528OCCCc2sc%2528nc2C%2528O%2529%253DO%2529-c2ccc3CCCC%2528%253DNNc4nc5ccccc5s4%2529c3c2%2529cc1.png)
Similarity Analogs
![Chemical structure of 2-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid - CSSB00137314469](/st/structure/200/397ccaff572200aab741b245e9159365/CN%2528C%2529CC%2523CC1%253DCC%253DC%2528OCCCC2%253DC%2528N%253DC%2528S2%2529N2CCC3%253DCC%253DCC%2528C%2528%253DO%2529NC4%253DNC5%253DCC%253DCC%253DC5S4%2529%253DC3C2%2529C%2528O%2529%253DO%2529C%2528F%2529%253DC1.png)
![Chemical structure of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide - CSSB00046133374](/st/structure/200/ac2101b45031cd822f82ad5516c8c8cb/CCOC1%253DCC%253DC%2528C%253DC1%2529C%2528%253DO%2529NC1%253DCC%253DCC%253DC1C1%253DNC2%253DCC%253DCC%253DC2S1.png)
![Chemical structure of ethyl 2-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-[3-(4-iodophenoxy)propyl]-1,3-thiazole-4-carboxylate - CSSB06256034957](/st/structure/200/b015c1ae870a4308bff44fffdcd3d1cc/CCOC%2528%253DO%2529c1nc%2528sc1CCCOc1ccc%2528I%2529cc1%2529N1CCc2cccc%2528C%2528%253DO%2529Nc3nc4ccccc4s3%2529c2C1.png)
![Chemical structure of 2-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-{3-[4-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-3,6,9,12,15,18-hexaoxahenicos-20-yn-21-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid - CSSB06256034959](/st/structure/200/ae7d3824bd9110556d821298870f423e/Cc1ncsc1-c1ccc%2528CNC%2528%253DO%2529%255BC%2540%2540H%255D2C%255BC%2540%2540H%255D%2528O%2529CN2C%2528%253DO%2529%255BC%2540%2540H%255D%2528NC%2528%253DO%2529CCOCCOCCOCCOCCOCCOCC%2523Cc2ccc%2528OCCCc3sc%2528nc3C%2528O%2529%253DO%2529N3CCc4cccc%2528C%2528%253DO%2529Nc5nc6ccccc6s5%2529c4C3%2529cc2%2529C%2528C%2529%2528C%2529C%2529cc1.png)
