Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1526346008
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 | 364 USD | 95 | 14 working days | Get Quote |
| 5 mg | 365 USD | 98 | 11 working days | Get Quote |
| 10 mg | 731 USD | 98 | 11 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-1526346008.sdf |
| SMILES | MCULE-1526346008.smiles |
| Standard InChI | MCULE-1526346008.inchi |
| InChIKey | MCULE-1526346008.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892850426 | 98 | As is | in stock |
| P-875691338 | 98 | As is | in stock |
| P-853434748 | 95 | As is | by resynthesis (? - ? days) |
| P-893591725 | 90 | As is | 14 mg |
| P-580235776 | 95 | As is | by synthesis |
| P-851766814 | N/A | As is | by synthesis |
| P-888813051 | 97 | As is | 5 mg |
| P-1274833068 | 95 | As is | by resynthesis (? - ? days) |
| P-889507201 | 95 | As is | by synthesis |
| P-900267853 | N/A | As is | by resynthesis (? - ? days) |
| P-901517149 | 95 | As is | by synthesis |
| P-881629129 | 98 | As is | in stock |
| P-1274909586 | 95 | As is | by synthesis |
| P-873243686 | 97 | As is | 1 mg |
| P-872529655 | 95 | As is | in stock |
| P-904067309 | 95 | As is | by synthesis |
| P-892308236 | 95 | As is | in stock |
| P-892280539 | 95 | As is | unavailable |
| P-892354946 | 95 | As is | unavailable |
| P-855242156 | 90 | As is | in stock |
| P-894001038 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 312.272 |
| logP | 2.5629 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 100.13 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 82.6308 |
| Atoms | 35 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
