MCULE-9896792680
- 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 | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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.
-
MCULE-9951227407
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9896792680.sdf |
| SMILES | MCULE-9896792680.smiles |
| Standard InChI | MCULE-9896792680.inchi |
| InChIKey | MCULE-9896792680.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886622841 | 95 | As is | in stock |
| P-889931621 | N/A | As is | by synthesis |
| P-613850105 | 95 | As is | in stock |
| P-903165538 | 95 | As is | 5 g |
| P-851618390 | N/A | As is | by synthesis |
| P-889798116 | 95 | As is | by synthesis |
| P-590855157 | 95 | As is | by synthesis |
| P-454696635 | 90 | As is | in stock |
| P-620801388 | 95 | As is | in stock |
| P-19940168 | 90 | As is | in stock |
| P-861532141 | 95 | As is | by synthesis |
| P-34646235 | 90 | As is | in stock |
| P-596591824 | 90 | As is | 1000 mg |
| P-852404725 | N/A | As is | in stock |
| P-895516285 | 95 | As is | by synthesis |
| P-885526794 | 95 | As is | by synthesis |
| P-19574024 | 90 | As is | in stock |
| P-22770124 | 90 | As is | in stock |
| P-873218744 | 90 | As is | in stock |
| P-888542123 | 94 | As is | by resynthesis (? - ? days) |
| P-611459574 | 90 | As is | in stock |
| P-3237800 | 90 | As is | 4.44 g |
| P-1542880 | 90 | As is | 4.44 g |
| P-893757833 | 95 | As is | by synthesis |
| P-867614908 | 95 | As a main component | in stock |
| P-875775634 | N/A | As a main component | in stock |
| P-615723217 | 95 | As a main component | in stock |
| P-590811262 | 95 | As a main component | by synthesis |
| P-616227086 | 95 | As a main component | in stock |
| P-427973183 | 90 | As a main component | 25 mg |
| P-861372598 | 95 | As a main component | by synthesis |
| P-855947800 | 95 | As a main component | 1000 mg |
| P-852417525 | N/A | As a main component | in stock |
| P-895641098 | 95 | As a main component | by synthesis |
| P-502385449 | 90 | As a main component | in stock |
| P-611459575 | 90 | As a main component | in stock |
| P-893670323 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.232 |
| logP | 2.8053 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.2214 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

