MCULE-6877567393
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-6877567393.sdf |
| SMILES | MCULE-6877567393.smiles |
| Standard InChI | MCULE-6877567393.inchi |
| InChIKey | MCULE-6877567393.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576041 | 98 | As is | in stock |
| P-875736293 | N/A | As is | in stock |
| P-588248220 | 97 | As is | in stock |
| P-903065977 | 98 | As is | 200 g |
| P-905479291 | 98 | As is | 100 g |
| P-893508013 | 90 | As is | 991.749 g |
| P-580241469 | 95 | As is | by synthesis |
| P-606932094 | N/A | As is | in stock |
| P-489136327 | 97 | As is | in stock |
| P-596951120 | 98 | As is | 1000 g |
| P-494342060 | 95 | As is | by resynthesis (? - ? days) |
| P-869614442 | 90 | As is | 247 mg |
| P-864101074 | 98 | As is | in stock |
| P-580722438 | 98 | As is | 72 g |
| P-492250452 | 95 | As is | in stock |
| P-577169176 | 90 | As is | by synthesis |
| P-851245028 | 95 | As is | by synthesis |
| P-868591454 | 98 | As is | in stock |
| P-580434959 | 95 | As is | by resynthesis (? - ? days) |
| P-579719709 | N/A | As is | by resynthesis (? - ? days) |
| P-861985803 | 95 | As is | 231.357 g |
| P-905337321 | 95 | As is | 7 g |
| P-505496516 | 95 | As is | in stock |
| P-524180682 | 98 | As is | 10 g |
| P-615656037 | 95 | As is | in stock |
| P-608097249 | 95 | As is | 50 g |
| P-14819474 | 90 | As is | 11.949 g |
| P-468070874 | 95 | As is | 11.949 g |
| P-580514642 | N/A | As is | 44.5 g |
| P-852381047 | N/A | As is | in stock |
| P-854725447 | 95 | As is | in stock |
| P-888859098 | N/A | As is | in stock |
| P-500407084 | 97 | As is | by synthesis |
| P-885517697 | 95 | As is | by synthesis |
| P-19585243 | 90 | As is | in stock |
| P-596736499 | 98 | As is | 82.6 g |
| P-873224453 | 90 | As is | in stock |
| P-873064502 | 94 | As is | by resynthesis (? - ? days) |
| P-33517132 | 94 | As is | by resynthesis (? - ? days) |
| P-906890757 | 99 | As is | by synthesis |
| P-611366600 | 90 | As is | in stock |
| P-615435818 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 123.113 |
| logP | 0.4525 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 68.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 31.8239 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

