MCULE-5209369303
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 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-5209369303.sdf |
| SMILES | MCULE-5209369303.smiles |
| Standard InChI | MCULE-5209369303.inchi |
| InChIKey | MCULE-5209369303.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867674541 | N/A | As is | in stock |
| P-875850077 | N/A | As is | in stock |
| P-869222412 | 95 | As is | in stock |
| P-903262420 | 95 | As is | 500 mg |
| P-851725581 | N/A | As is | by synthesis |
| P-866726075 | 95 | As is | 23 g |
| P-869419598 | 95 | As is | by synthesis |
| P-590931861 | 95 | As is | by synthesis |
| P-901421559 | 95 | As is | by synthesis |
| P-504714106 | 85 | As is | 5 mg |
| P-607692763 | 90 | As is | 58 mg |
| P-889727623 | 95 | As is | by synthesis |
| P-34459624 | 90 | As is | by synthesis |
| P-580775527 | 90 | As is | by resynthesis (? - ? days) |
| P-580764997 | 90 | As is | in stock |
| P-905312266 | N/A | As is | 750 mg |
| P-454322470 | 90 | As is | unavailable |
| P-854859988 | 95 | As is | by synthesis |
| P-491128257 | 95 | As is | by synthesis |
| P-23859278 | 90 | As is | in stock |
| P-33465200 | 90 | As is | in stock |
| P-502341905 | 90 | As is | in stock |
| P-596527277 | 90 | As is | 1.053 g |
| P-1144699 | 90 | As is | 1.053 g |
| P-893747617 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.583 |
| logP | 0.8601 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 44.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 39.7785 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

