Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7464504811-0
Structure
Show compound
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 | 42 USD | 95 | 14 working days | Get Quote |
| 5 mg | 42 USD | 95 | 14 working days | Get Quote |
| 10 mg | 63 USD | 95 | 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-9818528260-0
- Component type: Main
-
1
MCULE-6124492894-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7464504811-0.sdf |
| SMILES | MCULE-7464504811-0.smiles |
| Standard InChI | MCULE-7464504811-0.inchi |
| InChIKey | MCULE-7464504811-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869337876 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580195733 | 98 | Main component as a main component | in stock |
| P-904320549 | 90 | Main component as a main component | 1.422 g |
| P-864263441 | 97 | Main component as a main component | by synthesis |
| P-851250649 | 95 | Main component as a main component | by synthesis |
| P-580450551 | 98 | Main component as a main component | in stock |
| P-861971511 | 99 | Main component as a main component | 400 mg |
| P-870660148 | N/A | Main component as a main component | in stock |
| P-1273110929 | 95 | Main component as a main component | 100 mg |
| P-852523637 | 95 | Main component as a main component | by synthesis |
| P-872798162 | 95 | Main component as a main component | in stock |
| P-871064749 | 95 | Main component as a main component | in stock |
| P-869127393 | 95 | Main component as a main component | unavailable |
| P-904247550 | 95 | Main component as a main component | unavailable |
| P-888640513 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 404.340 |
| logP | 0.5633 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 110.317 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 26 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
