MCULE-3215206804
- 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 | 6 USD | 99 | 22 working days | Get Quote |
| 5 mg | 7 USD | 99 | 22 working days | Get Quote |
| 10 mg | 7 USD | 99 | 22 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-3215206804.sdf |
| SMILES | MCULE-3215206804.smiles |
| Standard InChI | MCULE-3215206804.inchi |
| InChIKey | MCULE-3215206804.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867676001 | 99 | As is | in stock |
| P-875851821 | N/A | As is | in stock |
| P-881671882 | 95 | As is | in stock |
| P-505389638 | 98 | As is | in stock |
| P-903289523 | 98 | As is | 10 g |
| P-893571043 | 90 | As is | 12.471 g |
| P-606848718 | N/A | As is | in stock |
| P-489107342 | 97 | As is | in stock |
| P-596974276 | 98 | As is | 10 g |
| P-895935354 | 95 | As is | by resynthesis (? - ? days) |
| P-864090425 | 97 | As is | in stock |
| P-500414625 | 99 | As is | by synthesis |
| P-868545651 | 99 | As is | in stock |
| P-871219193 | N/A | As is | by resynthesis (? - ? days) |
| P-893219309 | 95 | As is | in stock |
| P-893234741 | 95 | As is | in stock |
| P-851271983 | 95 | As is | by synthesis |
| P-579478642 | 95 | As is | in stock |
| P-870652737 | 98 | As is | in stock |
| P-505512219 | 95 | As is | in stock |
| P-488555420 | 92 | As is | in stock |
| P-856009109 | 98 | As is | 225 mg |
| P-579625648 | 95 | As is | unavailable |
| P-852462408 | N/A | As is | in stock |
| P-896628382 | 95 | As is | by synthesis |
| P-854713241 | 95 | As is | in stock |
| P-474025262 | 95 | As is | in stock |
| P-608276366 | 98 | As is | in stock |
| P-13807554 | 92 | As is | 300 mg |
| P-500387974 | 99 | As is | by synthesis |
| P-555283306 | 95 | As is | by synthesis |
| P-579299567 | 90 | As is | in stock |
| P-617402348 | N/A | As is | in stock |
| P-873285235 | N/A | As is | in stock |
| P-869107727 | 95 | As is | by synthesis |
| P-892286326 | 95 | As is | unavailable |
| P-888626763 | 95 | As is | 197 mg |
| P-873223805 | 90 | As is | in stock |
| P-33163119 | 90 | As is | 967 mg |
| P-611423467 | 90 | As is | in stock |
| P-855029350 | 90 | As is | in stock |
| P-855029351 | 90 | As is | in stock |
| P-2031390 | 90 | As is | 126 mg |
| P-615456954 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.220 |
| logP | 3.3654 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 95.23 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.2587 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

