Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1387393551
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 13 USD | 97 | 14 working days | Get Quote |
| 5 mg | 19 USD | 98 | 22 working days | Get Quote |
| 10 mg | 32 USD | 97 | 14 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.
-
1
MCULE-7397316856
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1387393551.sdf |
| SMILES | MCULE-1387393551.smiles |
| Standard InChI | MCULE-1387393551.inchi |
| InChIKey | MCULE-1387393551.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867608538 | 98 | Main component | in stock |
| P-875767466 | 98 | Main component | in stock |
| P-595221718 | 98 | Main component | by resynthesis (? - ? days) |
| P-903105930 | 97 | Main component | 500 mg |
| P-1264054547 | 99 | Main component | in stock |
| P-610974848 | 90 | Main component | 13.132 g |
| P-606891167 | N/A | Main component | in stock |
| P-865913965 | 97 | Main component | 500 mg |
| P-1273453312 | 95 | Main component | by resynthesis (? - ? days) |
| P-619601299 | 97 | Main component | 150 mg |
| P-851279950 | 95 | Main component | by synthesis |
| P-861286793 | 98 | Main component | in stock |
| P-861500421 | 95 | Main component | by synthesis |
| P-579479972 | 95 | Main component | in stock |
| P-901409900 | 98 | Main component | 500 mg |
| P-893292948 | 90 | Main component | 156 mg |
| P-18688139 | 90 | Main component | 156 mg |
| P-35246654 | 90 | Main component | in stock |
| P-854715315 | 95 | Main component | in stock |
| P-1274583847 | 95 | Main component | by synthesis |
| P-474027975 | 95 | Main component | in stock |
| P-608274105 | 98 | Main component | in stock |
| P-1263959303 | 90 | Main component | in stock |
| P-617403816 | 98 | Main component | in stock |
| P-892290680 | 95 | Main component | unavailable |
| P-869125372 | 95 | Main component | 45 mg |
| P-888638966 | 95 | Main component | 39 mg |
| P-575302116 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 317.768 |
| logP | 4.2656 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 56.27 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 89.0307 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
