MCULE-3400288648
- 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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 73 USD | 90 | 21 working days | Get Quote |
| 10 mg | 85 USD | 90 | 21 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.
-
MCULE-7826194478
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3400288648.sdf |
| SMILES | MCULE-3400288648.smiles |
| Standard InChI | MCULE-3400288648.inchi |
| InChIKey | MCULE-3400288648.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875763995 | 95 | As is | in stock |
| P-890255313 | 97 | As is | by synthesis |
| P-613847702 | 95 | As is | by resynthesis (? - ? days) |
| P-903101461 | 95 | As is | 50 g |
| P-905481649 | 95 | As is | 100 g |
| P-893505600 | 90 | As is | 177 g |
| P-851792418 | N/A | As is | by synthesis |
| P-489234651 | 97 | As is | in stock |
| P-619172153 | 95 | As is | 50 g |
| P-864180829 | 95 | As is | in stock |
| P-591119954 | 95 | As is | by synthesis |
| P-887167844 | 95 | As is | by synthesis |
| P-580437816 | 95 | As is | by resynthesis (? - ? days) |
| P-579516245 | 90 | As is | 840 mg |
| P-890210045 | 90 | As is | in stock |
| P-502573551 | 95 | As is | by synthesis |
| P-454353223 | 90 | As is | unavailable |
| P-852451554 | N/A | As is | by synthesis |
| P-854920609 | 95 | As is | by synthesis |
| P-888905699 | N/A | As is | in stock |
| P-859985248 | 95 | As is | by synthesis |
| P-904081500 | 97 | As is | 24.9 g |
| P-502361510 | 90 | As is | in stock |
| P-855360054 | 90 | As is | in stock |
| P-1271262843 | 97 | As is | by synthesis |
| P-867644273 | 95 | As a main component | in stock |
| P-890161225 | 95 | As a main component | in stock |
| P-890839289 | 97 | As a main component | in stock |
| P-894621611 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903170698 | 95 | As a main component | 5 g |
| P-617052385 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851811419 | N/A | As a main component | by synthesis |
| P-864224183 | 95 | As a main component | by synthesis |
| P-590995004 | 95 | As a main component | by synthesis |
| P-901531213 | 95 | As a main component | by synthesis |
| P-580423219 | 95 | As a main component | by resynthesis (? - ? days) |
| P-35278962 | 90 | As a main component | in stock |
| P-854876167 | 95 | As a main component | by synthesis |
| P-502328976 | 90 | As a main component | in stock |
| P-893741427 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.224 |
| logP | 0.9958 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 88.62 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 40.9502 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

