MCULE-5096901296
- 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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 20 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-5096901296.sdf |
| SMILES | MCULE-5096901296.smiles |
| Standard InChI | MCULE-5096901296.inchi |
| InChIKey | MCULE-5096901296.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559850 | 96 | As is | in stock |
| P-875719905 | 95 | As is | in stock |
| P-590404377 | 98 | As is | by resynthesis (? - ? days) |
| P-903049371 | 97 | As is | 100 g |
| P-905485340 | 95 | As is | 1000 mg |
| P-610961797 | 90 | As is | in stock |
| P-1270381470 | 95 | As is | in stock |
| P-580244001 | 95 | As is | by synthesis |
| P-875894149 | 95 | As is | in stock |
| P-606845121 | N/A | As is | in stock |
| P-489240275 | 97 | As is | in stock |
| P-596927619 | 97 | As is | 1000 g |
| P-895932552 | 95 | As is | by resynthesis (? - ? days) |
| P-864107843 | 95 | As is | in stock |
| P-580701449 | 95 | As is | 37.45 g |
| P-851263768 | 95 | As is | by synthesis |
| P-861278496 | 95 | As is | in stock |
| P-868599267 | 97 | As is | in stock |
| P-580416096 | 95 | As is | by resynthesis (? - ? days) |
| P-905343548 | 95 | As is | 26.1 g |
| P-862021475 | 95 | As is | 202.091 g |
| P-505539543 | 95 | As is | in stock |
| P-619806856 | 96 | As is | in stock |
| P-563403741 | 95 | As is | 250 mg |
| P-872930002 | N/A | As is | by synthesis |
| P-852462547 | N/A | As is | by synthesis |
| P-1272586895 | N/A | As is | in stock |
| P-854727793 | 95 | As is | in stock |
| P-888865567 | N/A | As is | in stock |
| P-856070597 | 95 | As is | in stock |
| P-579705091 | N/A | As is | in stock |
| P-596746063 | 98 | As is | 312.9 g |
| P-611611793 | 90 | As is | in stock |
| P-1279167655 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.487 |
| logP | 3.5838 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 15.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.0087 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

