MCULE-8253193657
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8253193657.sdf |
| SMILES | MCULE-8253193657.smiles |
| Standard InChI | MCULE-8253193657.inchi |
| InChIKey | MCULE-8253193657.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886649062 | 95 | As is | in stock |
| P-889948036 | N/A | As is | by synthesis |
| P-869229780 | 95 | As is | in stock |
| P-903208807 | 95 | As is | 10 g |
| P-851481263 | N/A | As is | by synthesis |
| P-889801027 | 95 | As is | by synthesis |
| P-590808741 | 95 | As is | by synthesis |
| P-577179828 | 90 | As is | by synthesis |
| P-436464586 | 95 | As is | 8 g |
| P-425022342 | 90 | As is | in stock |
| P-488551743 | 90 | As is | in stock |
| P-13771343 | 95 | As is | 300 mg |
| P-596590332 | 90 | As is | 1000 mg |
| P-852446106 | N/A | As is | in stock |
| P-854791333 | 95 | As is | by synthesis |
| P-454369613 | 92 | As is | in stock |
| P-13928467 | 92 | As is | 300 mg |
| P-885520301 | 95 | As is | by synthesis |
| P-23857835 | 90 | As is | in stock |
| P-888596048 | 94 | As is | by resynthesis (? - ? days) |
| P-855219855 | 90 | As is | in stock |
| P-3234587 | 90 | As is | 1.575 g |
| P-3248930 | 90 | As is | 1.575 g |
| P-25155003 | 90 | As is | 1.575 g |
| P-893826066 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.215 |
| logP | 2.3693 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 76.74 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.0338 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 10 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

