3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}propanoic acid
Structure Info
- Chemspace ID
- CSSB00025755359 (In-Stock Building Blocks)
- CAS
- 313233-60-2
- MFCD
- MFCD00292128, MFCD00042273
- IUPAC Name
- 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}propanoic acid
- Mol formula
- C18H16N2O3S
- Mol weight
- 340 Da
- Catalog Number(s)
- 005876, 009995, AA01F7A2, AG-205/07930063, AG270923, AGN-PC-0WBTK2, AGNPC-0WBTK2, AX88790, BD594174, CD11147349, CS-0282042, CSC025755359, CSCR00292916014, F0777-0633, HY-W219500, LN00121180, NMA23360, OSSL_033271, ST01F8TM, STL353321, STOCK1S-94506, TX01F8II, Y3483539, Z57410403, ZX-AX000451, a6_114850_65164
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.71
- Heavy atoms count
- 24
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 79
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
![Chemical structure of 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}propanoic acid (C18H16N2O3S) - CSSB00025755359](/st/structure/200/a3f9a2f49530566a9567df2c8b18cca4/CC1%253DCC%253DC2N%253DC%2528SC2%253DC1%2529C1%253DCC%253DC%2528NC%2528%253DO%2529CCC%2528O%2529%253DO%2529C%253DC1.png "C18H16N2O3S")
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- CSSB00025755359
Items Overall 5 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 10 mg | 336.60 | |
| AA Blocks CN | 12 days | China To: | 90 | 20 mg | 350.90 | |
| AA Blocks CN | 12 days | China To: | 90 | 50 mg | 388.30 | |
Description: 4-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid; CAS: 313233-60-2 | ||||||
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
Description: 4-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)amino)-4-oxobutanoic acid; CAS: 313233-60-2 | ||||||
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Substructure Analogs
![Chemical structure of methyl 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}propanoate - CSSB00020579178](/st/structure/200/343f343e696e661dc4dbe2bc9c4f7327/COC%2528%253DO%2529CCC%2528%253DO%2529NC1%253DCC%253DC%2528C%253DC1%2529C1%253DNC2%253DCC%253DC%2528C%2529C%253DC2S1.png)
![Chemical structure of ethyl 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}propanoate - CSSB00020578237](/st/structure/200/c18c04f077ec9a22ac4af8c96a0ac650/CCOC%2528%253DO%2529CCC%2528%253DO%2529NC1%253DCC%253DC%2528C%253DC1%2529C1%253DNC2%253DCC%253DC%2528C%2529C%253DC2S1.png)
![Chemical structure of 4-methyl-6-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid - CSSB00121618370](/st/structure/200/5bc969b09520d99725b773a1bad1bdbe/CC1%253DCCC%2528C%2528C1%2529C%2528%253DO%2529NC1%253DCC%253DC%2528C%253DC1%2529C1%253DNC2%253DCC%253DC%2528C%2529C%253DC2S1%2529C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide - CSSB00026299120](/st/structure/200/ced647e971ec1c8ece08572adb4df0c0/CCCC%2528%253DO%2529NC1%253DCC%253DC%2528C%253DC1%2529C1%253DNC2%253DCC%253DC%2528C%2529C%253DC2S1.png)
![Chemical structure of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide - CSSB00027937643](/st/structure/200/2c7ba6d03149d9bb6d4d9bbe042635fa/CC1%253DCC%253DC2N%253DC%2528SC2%253DC1%2529C1%253DCC%253DC%2528NC%2528%253DO%2529COC2%253DCC%2528C%2529%253DCC%253DC2%2529C%253DC1.png)
![Chemical structure of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide - CSSB00028324159](/st/structure/200/d58ddc4ee7fb71e4db68a405088e29c0/CCC%2528%253DO%2529NC1%253DCC%253DC%2528C%253DC1%2529C1%253DNC2%253DCC%253DC%2528C%2529C%253DC2S1.png)
![Chemical structure of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide - CSSB00132653300](/st/structure/200/aa3c67b123eecd06fbe091046487cb7a/CC1%253DCC%253DC%2528OCC%2528%253DO%2529NC2%253DCC%253DC%2528C%253DC2%2529C2%253DNC3%253DCC%253DC%2528C%2529C%253DC3S2%2529C%253DC1.png)
![Chemical structure of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide - CSSB00000736572](/st/structure/200/fad21e890f09829d0afb460f45746b6c/CC1%253DCC%253DC2N%253DC%2528SC2%253DC1%2529C1%253DCC%253DC%2528NC%2528%253DO%2529CCl%2529C%253DC1.png)
