MCULE-2639357851
- 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 | 98 | 22 working days | Get Quote |
| 5 mg | 28 USD | 95 | 7 working days | Get Quote |
| 10 mg | 47 USD | 95 | 7 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-2639357851.sdf |
| SMILES | MCULE-2639357851.smiles |
| Standard InChI | MCULE-2639357851.inchi |
| InChIKey | MCULE-2639357851.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648741 | 98 | As is | in stock |
| P-875816872 | N/A | As is | in stock |
| P-590360055 | 98 | As is | by resynthesis (? - ? days) |
| P-505402082 | 95 | As is | by resynthesis (? - ? days) |
| P-580194503 | 98 | As is | in stock |
| P-1264047642 | 95 | As is | in stock |
| P-610964301 | 90 | As is | 11.963 g |
| P-606905174 | N/A | As is | in stock |
| P-596970563 | 98 | As is | 250 mg |
| P-1273453174 | 95 | As is | by resynthesis (? - ? days) |
| P-905459672 | 95 | As is | in stock |
| P-868544454 | 99 | As is | in stock |
| P-580722292 | 98 | As is | 1000 mg |
| P-851268369 | 95 | As is | by synthesis |
| P-860799601 | 98 | As is | in stock |
| P-861500742 | 95 | As is | by synthesis |
| P-579478992 | 95 | As is | in stock |
| P-901409365 | 98 | As is | 750 mg |
| P-868079556 | 95 | As is | in stock |
| P-524167312 | 95 | As is | 10 mg |
| P-854718397 | 95 | As is | in stock |
| P-584617299 | 95 | As is | in stock |
| P-608278795 | 98 | As is | in stock |
| P-579711307 | 98 | As is | in stock |
| P-873286378 | N/A | As is | in stock |
| P-892297280 | 95 | As is | unavailable |
| P-869162189 | 95 | As is | 200 mg |
| P-888657574 | 95 | As is | 200 mg |
| P-480558926 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 391.772 |
| logP | 4.8359 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 39.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 95.406 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 13 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

