Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9476554167
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 | 11 USD | 97 | 22 working days | Get Quote |
| 5 mg | 11 USD | 97 | 22 working days | Get Quote |
| 10 mg | 11 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9476554167.sdf |
| SMILES | MCULE-9476554167.smiles |
| Standard InChI | MCULE-9476554167.inchi |
| InChIKey | MCULE-9476554167.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867644316 | 97 | As is | in stock |
| P-875811181 | 97 | As is | in stock |
| P-869249245 | 95 | As is | by resynthesis (? - ? days) |
| P-903171971 | 97 | As is | 50 g |
| P-1270357308 | 97 | As is | in stock |
| P-851955036 | N/A | As is | in stock |
| P-489129939 | 97 | As is | in stock |
| P-865923225 | 97 | As is | 25 g |
| P-889579068 | 95 | As is | in stock |
| P-427940740 | 90 | As is | 1 mg |
| P-517093518 | 90 | As is | in stock |
| P-872748776 | 97 | As is | in stock |
| P-580416682 | 95 | As is | by resynthesis (? - ? days) |
| P-896537325 | 97 | As is | 33 g |
| P-502891020 | 90 | As is | in stock |
| P-588709237 | 97 | As is | unavailable |
| P-856014850 | 90 | As is | unavailable |
| P-1279673906 | N/A | As is | in stock |
| P-1279081275 | N/A | As is | by synthesis |
| P-854928295 | 95 | As is | by synthesis |
| P-12682615 | 90 | As is | 50 mg |
| P-889862311 | 95 | As is | by synthesis |
| P-19029269 | 90 | As is | in stock |
| P-890840940 | 95 | As is | in stock |
| P-873215952 | 90 | As is | in stock |
| P-888440787 | 94 | As is | by resynthesis (? - ? days) |
| P-906828743 | 95 | As is | by synthesis |
| P-906869071 | 97 | As is | by synthesis |
| P-906803186 | 98 | As is | by synthesis |
| P-855214007 | 90 | As is | in stock |
| P-580449054 | 97 | As is | in stock |
| P-1271664680 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.363 |
| logP | 3.7696 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 56.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.0684 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
