MCULE-6449178331
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-6449178331.sdf |
| SMILES | MCULE-6449178331.smiles |
| Standard InChI | MCULE-6449178331.inchi |
| InChIKey | MCULE-6449178331.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892965652 | N/A | As is | by synthesis |
| P-1274665127 | N/A | As is | by synthesis |
| P-612936888 | 95 | As is | by resynthesis (? - ? days) |
| P-851509116 | N/A | As is | by synthesis |
| P-489120448 | 97 | As is | in stock |
| P-596406853 | 90 | As is | 23 mg |
| P-889455900 | 95 | As is | by synthesis |
| P-590779656 | 97 | As is | by synthesis |
| P-454685501 | 90 | As is | in stock |
| P-22005719 | 90 | As is | 5 mg |
| P-436443503 | 90 | As is | 132.14 g |
| P-113692 | 90 | As is | 898 mg |
| P-851315688 | 95 | As is | by synthesis |
| P-34674436 | 90 | As is | by synthesis |
| P-580788040 | 90 | As is | by resynthesis (? - ? days) |
| P-617830018 | 92 | As is | 300 mg |
| P-596578120 | 95 | As is | 100 mg |
| P-1272564667 | N/A | As is | 750 mg |
| P-852382547 | N/A | As is | by synthesis |
| P-895260839 | 95 | As is | by synthesis |
| P-674411934 | 92 | As is | 300 mg |
| P-491226092 | 95 | As is | by synthesis |
| P-23855936 | 90 | As is | in stock |
| P-454108392 | 90 | As is | 16 mg |
| P-33483241 | 90 | As is | in stock |
| P-502337581 | 90 | As is | in stock |
| P-888365675 | 94 | As is | by resynthesis (? - ? days) |
| P-22557236 | 90 | As is | 1 mg |
| P-1814387 | 90 | As is | 183 mg |
| P-666998481 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.691 |
| logP | 3.3258 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.3195 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

