MCULE-1100638827-0
- 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 | 27 USD | 95 | 7 working days | Get Quote |
| 5 mg | 70 USD | 98 | 13 working days | Get Quote |
| 10 mg | 140 USD | 95 | 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-1100638827-0.sdf |
| SMILES | MCULE-1100638827-0.smiles |
| Standard InChI | MCULE-1100638827-0.inchi |
| InChIKey | MCULE-1100638827-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624000 | 95 | As is | in stock |
| P-875786577 | N/A | As is | in stock |
| P-595215840 | 98 | As is | in stock |
| P-903136196 | 98 | As is | 50 mg |
| P-904320320 | 90 | As is | 1.985 g |
| P-851662269 | N/A | As is | by synthesis |
| P-875890336 | 98 | As is | 50 mg |
| P-872722750 | 98 | As is | in stock |
| P-889497187 | 95 | As is | by synthesis |
| P-860056182 | 98 | As is | by synthesis |
| P-591017356 | 97 | As is | by synthesis |
| P-579480772 | 95 | As is | in stock |
| P-675215669 | 95 | As is | in stock |
| P-873250129 | 97 | As is | 50 mg |
| P-1263155724 | 95 | As is | by synthesis |
| P-854721919 | 95 | As is | in stock |
| P-584619510 | 95 | As is | in stock |
| P-26538380 | 90 | As is | 3 mg |
| P-869119279 | 95 | As is | by synthesis |
| P-904245791 | 95 | As is | unavailable |
| P-888634212 | 95 | As is | 33 mg |
| P-611456404 | 90 | As is | in stock |
| P-854664063 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 520.576 |
| logP | 4.6201 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 121.5 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 138.4285 |
| Atoms | 62 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 25 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

