MCULE-9133225189
- 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 | 17 USD | 96 | 14 working days | Get Quote |
| 5 mg | 17 USD | 96 | 14 working days | Get Quote |
| 10 mg | 17 USD | 96 | 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-9133225189.sdf |
| SMILES | MCULE-9133225189.smiles |
| Standard InChI | MCULE-9133225189.inchi |
| InChIKey | MCULE-9133225189.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585744 | 95 | As is | in stock |
| P-875744185 | 95 | As is | in stock |
| P-1275190407 | 95 | As is | in stock |
| P-1275188291 | 98 | As is | in stock |
| P-1275154127 | 96 | As is | in stock |
| P-1275181171 | 98 | As is | in stock |
| P-903074594 | 96 | As is | 100 g |
| P-1270384992 | 96 | As is | in stock |
| P-1263077806 | N/A | As is | in stock |
| P-596984036 | 96 | As is | 100 g |
| P-864175298 | 98 | As is | in stock |
| P-580701380 | 96 | As is | 72.1 g |
| P-3284408 | 90 | As is | 108 mg |
| P-425203702 | 90 | As is | in stock |
| P-517093444 | 90 | As is | in stock |
| P-868591546 | 96 | As is | in stock |
| P-580434414 | 95 | As is | by resynthesis (? - ? days) |
| P-862122889 | 97 | As is | 125 g |
| P-889117554 | 97 | As is | 3 g |
| P-870655637 | N/A | As is | in stock |
| P-505495264 | 95 | As is | in stock |
| P-524165607 | 98 | As is | 1000 mg |
| P-31257737 | 90 | As is | 2 g |
| P-588253070 | N/A | As is | by synthesis |
| P-852599654 | N/A | As is | by synthesis |
| P-584617024 | 95 | As is | in stock |
| P-500402340 | 98 | As is | by synthesis |
| P-885516438 | 95 | As is | by synthesis |
| P-19040494 | 90 | As is | in stock |
| P-869124974 | 95 | As is | unavailable |
| P-888638647 | 95 | As is | unavailable |
| P-33509426 | 90 | As is | in stock |
| P-502328672 | 90 | As is | in stock |
| P-22822467 | 94 | As is | by resynthesis (? - ? days) |
| P-906758277 | 96 | As is | by synthesis |
| P-611382700 | 90 | As is | in stock |
| P-3219956 | 90 | As is | 3.228 g |
| P-1115773 | 90 | As is | 3.228 g |
| P-868501279 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.225 |
| logP | 2.331 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 80.39 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.1764 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 9 |
| 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 |

