MCULE-2285171148
- 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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 67 USD | 92 | 15 working days | Get Quote |
| 10 mg | 88 USD | 90 | 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-2285171148.sdf |
| SMILES | MCULE-2285171148.smiles |
| Standard InChI | MCULE-2285171148.inchi |
| InChIKey | MCULE-2285171148.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867444904 | 90 | As is | by synthesis |
| P-1275519951 | 95 | As is | by resynthesis (? - ? days) |
| P-596288363 | 90 | As is | 1 mg |
| P-4258942 | 90 | As is | 50 mg |
| P-3569784 | 90 | As is | 936 mg |
| P-425237234 | 90 | As is | in stock |
| P-517095287 | 90 | As is | in stock |
| P-34744391 | 90 | As is | by synthesis |
| P-12613841 | 92 | As is | 300 mg |
| P-856025478 | 90 | As is | 250 mg |
| P-35275195 | 90 | As is | in stock |
| P-641883100 | 90 | As is | by synthesis |
| P-608489569 | 95 | As is | by synthesis |
| P-24072462 | 90 | As is | in stock |
| P-12592861 | 90 | As is | 74 mg |
| P-33453154 | 90 | As is | in stock |
| P-888578132 | 94 | As is | by resynthesis (? - ? days) |
| P-2217258 | 90 | As is | 129 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.315 |
| logP | 2.4839 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 57.12 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 89.8 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

