Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8784354981
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 | 80 USD | 98 | 22 working days | Get Quote |
| 5 mg | 221 USD | N/A | 9 working days | Get Quote |
| 10 mg | 283 USD | 95 | 27 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8784354981.sdf |
| SMILES | MCULE-8784354981.smiles |
| Standard InChI | MCULE-8784354981.inchi |
| InChIKey | MCULE-8784354981.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867618847 | 98 | As is | in stock |
| P-875780603 | N/A | As is | in stock |
| P-869209693 | 95 | As is | in stock |
| P-505401597 | 95 | As is | in stock |
| P-903126326 | 95 | As is | 2 g |
| P-610972464 | 90 | As is | 2 g |
| P-907308427 | 95 | As is | 2.4 g |
| P-606887449 | N/A | As is | in stock |
| P-868829910 | 95 | As is | 2 g |
| P-864127571 | 95 | As is | in stock |
| P-861315982 | 95 | As is | 1.51 g |
| P-901474354 | 95 | As is | by synthesis |
| P-851242367 | 95 | As is | by synthesis |
| P-861496806 | 95 | As is | by synthesis |
| P-524166970 | 95 | As is | 100 mg |
| P-852520729 | N/A | As is | in stock |
| P-871074314 | 95 | As is | in stock |
| P-892270715 | 95 | As is | by synthesis |
| P-892348658 | 95 | As is | unavailable |
| P-906809256 | 95 | As is | by synthesis |
| P-611536428 | 90 | As is | in stock |
| P-854659151 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.337 |
| logP | 5.3322 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 38.77 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 94.864 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
