MCULE-2357185908
- 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 | 37 USD | 92 | 18 working days | Get Quote |
| 5 mg | 58 USD | 92 | 18 working days | Get Quote |
| 10 mg | 72 USD | 92 | 18 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-3651690230
- Component type: Unknown
-
MCULE-6967497144
- Component type: Main
-
MCULE-8111242541
- Component type: Main
-
MCULE-3893889029
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2357185908.sdf |
| SMILES | MCULE-2357185908.smiles |
| Standard InChI | MCULE-2357185908.inchi |
| InChIKey | MCULE-2357185908.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870659667 | N/A | As is | in stock |
| P-596562995 | 97 | As is | 1000 mg |
| P-13940013 | 92 | As is | 174 mg |
| P-906783239 | 99 | As is | by synthesis |
| P-855911404 | 97 | As a main component | 100 g |
| P-885544643 | 95 | As a main component | by synthesis |
| P-906773147 | N/A | As a main component | by synthesis |
| P-489183082 | 97 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.206 |
| logP | -1.7396 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 190.09 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 71.2027 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 13 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

