Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1672908621
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 | 61 USD | 95 | 7 working days | Get Quote |
| 5 mg | 92 USD | 98 | 22 working days | Get Quote |
| 10 mg | 125 USD | 98 | 22 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-2267396666
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1672908621.sdf |
| SMILES | MCULE-1672908621.smiles |
| Standard InChI | MCULE-1672908621.inchi |
| InChIKey | MCULE-1672908621.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869420670 | 95 | As is | by synthesis |
| P-868544724 | 99 | As is | in stock |
| P-892864930 | N/A | Main component | in stock |
| P-1265840358 | N/A | Main component | in stock |
| P-893606904 | 90 | Main component | 1.5 g |
| P-891654839 | N/A | Main component | by synthesis |
| P-895101193 | N/A | Main component | 500 mg |
| P-1273259630 | 95 | Main component | by resynthesis (? - ? days) |
| P-907565680 | 98 | Main component | by synthesis |
| P-901563251 | 95 | Main component | by synthesis |
| P-888622225 | 95 | Main component | 1 mg |
| P-1272493177 | 95 | Main component | in stock |
| P-888170864 | 98 | Main component | by synthesis |
| P-892292309 | 95 | Main component | unavailable |
| P-869136508 | 95 | Main component | 649 mg |
| P-888644805 | 95 | Main component | 66 mg |
| P-1271625486 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 516.028 |
| logP | 6.1724 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 80.32 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 147.4889 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
