(2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00000052691 (In-Stock Building Blocks)
- CAS
- 3116-76-5
- MFCD
- MFCD00210902, MFCD03254965
- IUPAC Name
- (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- Mol formula
- C19H17Cl2N3O5S
- Mol weight
- 470 Da
- Catalog Number(s)
- 3116-76-5, 397484, 5181-0578, AA00I5RC, ACM3116765, AG00I5U4, AKOS016010072, AKOS040921110, APB3116765, AR00I6J4, BBF-01839, BD110166, CD11147851, CSC000052691, EBC-27176, EC00I7ZW, EN300-708779, FD31341, H37401, HY-B1459A, LN01343731, OR1126580, ST00I7AW, T21384, TX00I6ZS, Y3307973, ZXC369878
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.91
- Heavy atoms count
- 30
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.368
- Polar surface area (Å)
- 113
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (C19H17Cl2N3O5S) - CSSB00000052691](/st/structure/200/f338c72018f142f1ee9907bc7c6a8ca9/CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528O%2529%253DO%2529C%2528%253DNO1%2529C1%253DC%2528Cl%2529C%253DCC%253DC1Cl.png "C19H17Cl2N3O5S")
- Zoom the structure
- CSSB00000052691
Items Overall 7 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene International Limited | 10 days | China To: | 95 | 10 mg | 301.50 | |
Description: Dicloxacillin; CAS: 3116-76-5 | ||||||
| AA Blocks CN | 12 days | China To: | 95 | 10 mg | 100.10 | |
| AA Blocks CN | 12 days | China To: | 95 | 25 mg | 158.40 | |
Description: Dicloxacillin; CAS: 3116-76-5 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 10 mg | 364.55 | |
| 1st Scientific CN | 14 days | China To: | 95 | 10 mg | 324.50 | |
Description: Dicloxacillin; CAS: 3116-76-5 | ||||||
| eNovation CN | 20 days | China To: | 95 | 10 mg | 471.50 | |
Description: Dicloxacillin; CAS: 3116-76-5 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 95 | 10 mg | 506.00 | |
Description: Dicloxacillin; CAS: 3116-76-5 | ||||||
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of sodium (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate - CSSB00020615407](/st/structure/200/e3408660103b189d09d0d724615e4eeb/%255BNa%252B%255D.CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528%255BO-%255D%2529%253DO%2529C%2528%253DNO1%2529C1%253DC%2528Cl%2529C%253DCC%253DC1Cl.png)
Similarity Analogs
![Chemical structure of (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - CSSB00000049620](/st/structure/200/d913929e1ee132e1b726a3c0845e6b54/CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528O%2529%253DO%2529C%2528%253DNO1%2529C1%253DCC%253DCC%253DC1Cl.png)
![Chemical structure of sodium (2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate - CSSB02515435605](/st/structure/200/064d2379cd07994737c3e71bc93844fe/CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528%253DO%2529O%255BNa%255D%2529C%2528%253DNO1%2529C1%253DC%2528F%2529C%253DCC%253DC1Cl.png)
![Chemical structure of (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - CSSB00020617698](/st/structure/200/be0f1c6eae92b208ee37f5ca5bb61203/CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528O%2529%253DO%2529C%2528%253DNO1%2529C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium - CSSB14880532172](/st/structure/200/60115b7d883697b194ff06c0c136c773/%255BNa%255D.Cc1onc%2528c1C%2528%253DO%2529N%255BC%2540H%255D1%255BC%2540H%255D2SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N2C1%253DO%2529C%2528O%2529%253DO%2529-c1ccccc1Cl.png)
![Chemical structure of (2S,5R,6R)-3,3-dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium - CSSB20621212636](/st/structure/200/98ea9d565adb8283feaa7f920ccbf7a8/%255BNa%255D.CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528O%2529%253DO%2529C%2528%253DNO1%2529C1%253DCC%253DCC%253DC1.png)
![Chemical structure of sodium (2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate - CSSB00000053213](/st/structure/200/1ffaac84935b2de07ce7dc695728b1dc/%255BNa%252B%255D.CC1%253DC%2528C%2528%253DO%2529N%255BC%2540H%255D2%255BC%2540H%255D3SC%2528C%2529%2528C%2529%255BC%2540%2540H%255D%2528N3C2%253DO%2529C%2528%255BO-%255D%2529%253DO%2529C%2528%253DNO1%2529C1%253DC%2528F%2529C%253DCC%253DC1Cl.png)
