MCULE-1216500247-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 137 USD | 95 | 20 working days | Get Quote |
| 5 mg | 137 USD | 95 | 20 working days | Get Quote |
| 10 mg | 137 USD | 95 | 20 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-8205371930-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1216500247-0.sdf |
| SMILES | MCULE-1216500247-0.smiles |
| Standard InChI | MCULE-1216500247-0.inchi |
| InChIKey | MCULE-1216500247-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270468050 | 95 | As is | by synthesis |
| P-1268913487 | 95 | As is | by synthesis |
| P-894632296 | 95 | As is | by resynthesis (? - ? days) |
| P-851645761 | N/A | As is | by synthesis |
| P-611056894 | 95 | As is | by synthesis |
| P-854915466 | 95 | As is | by synthesis |
| P-872836447 | 95 | As a main component | in stock |
| P-875850000 | 95 | As a main component | in stock |
| P-892788934 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903262515 | 95 | As a main component | 2 g |
| P-904313987 | 90 | As a main component | 5 g |
| P-1270270254 | 95 | As a main component | in stock |
| P-871255689 | N/A | As a main component | in stock |
| P-888825624 | 95 | As a main component | 5 g |
| P-1273304775 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889786816 | 95 | As a main component | in stock |
| P-871194353 | 95 | As a main component | 2.755 g |
| P-889730150 | 95 | As a main component | by synthesis |
| P-613313966 | 95 | As a main component | by synthesis |
| P-895765906 | 95 | As a main component | by synthesis |
| P-855269501 | 90 | As a main component | in stock |
| P-1271715124 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.223 |
| logP | 2.4244 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.6807 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

