Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1412578431
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 | 37 USD | 95 | 7 working days | Get Quote |
| 5 mg | 37 USD | 95 | 7 working days | Get Quote |
| 10 mg | 55 USD | 95 | 7 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-6820788366
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1412578431.sdf |
| SMILES | MCULE-1412578431.smiles |
| Standard InChI | MCULE-1412578431.inchi |
| InChIKey | MCULE-1412578431.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1268882842 | N/A | As is | by synthesis |
| P-867676080 | N/A | Main component | in stock |
| P-875851848 | 98 | Main component | in stock |
| P-588247330 | 95 | Main component | by resynthesis (? - ? days) |
| P-904321308 | 90 | Main component | 1.704 g |
| P-873299432 | 98 | Main component | 1000 mg |
| P-1273291379 | 95 | Main component | by resynthesis (? - ? days) |
| P-905466624 | 95 | Main component | in stock |
| P-893259644 | 95 | Main component | by synthesis |
| P-505501071 | 95 | Main component | in stock |
| P-873245081 | 97 | Main component | 5 mg |
| P-872798330 | 95 | Main component | in stock |
| P-896628248 | 95 | Main component | by synthesis |
| P-871072893 | 95 | Main component | in stock |
| P-904251358 | 95 | Main component | unavailable |
| P-892255910 | 95 | Main component | 88 mg |
| P-892339988 | 95 | Main component | 88 mg |
| P-611383496 | 90 | Main component | in stock |
| P-489178404 | 97 | Main component as a main component | in stock |
| P-580450500 | 98 | Main component as a main component | in stock |
| P-608220711 | 98 | Main component as a main component | in stock |
| P-902979455 | 95 | Main component as a main component | by synthesis |
| P-871072894 | 95 | Main component as a main component | in stock |
| P-1263956126 | 90 | Main component as a main component | in stock |
| P-596714797 | 90 | Main component as a main component | 80 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 399.955 |
| logP | 4.0513 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 29.95 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 130.8408 |
| Atoms | 58 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 30 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
