MCULE-8939358680
- 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 | 92 | 15 working days | Get Quote |
| 5 mg | 52 USD | 95 | 15 working days | Get Quote |
| 10 mg | 52 USD | 95 | 15 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-8939358680.sdf |
| SMILES | MCULE-8939358680.smiles |
| Standard InChI | MCULE-8939358680.inchi |
| InChIKey | MCULE-8939358680.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852094242 | 95 | As is | by synthesis |
| P-890155531 | N/A | As is | in stock |
| P-853441014 | 95 | As is | in stock |
| P-903137835 | 95 | As is | 3 g |
| P-887310614 | N/A | As is | in stock |
| P-868830262 | 95 | As is | unavailable |
| P-596403062 | 90 | As is | 67 mg |
| P-889525554 | 97 | As is | in stock |
| P-890241950 | 95 | As is | 1.795 g |
| P-901429703 | 95 | As is | by synthesis |
| P-504762951 | 90 | As is | 20 mg |
| P-3312421 | 90 | As is | 305 mg |
| P-425208075 | 90 | As is | in stock |
| P-861474208 | 95 | As is | by synthesis |
| P-502448674 | 95 | As is | by synthesis |
| P-12521022 | 92 | As is | 244 mg |
| P-31240588 | 90 | As is | 1000 mg |
| P-14185920 | 90 | As is | 3 mg |
| P-895529139 | 95 | As is | by synthesis |
| P-491074672 | 95 | As is | by synthesis |
| P-424805218 | 90 | As is | in stock |
| P-888665615 | 90 | As is | in stock |
| P-502388972 | 90 | As is | in stock |
| P-23298465 | 94 | As is | by resynthesis (? - ? days) |
| P-873064651 | 94 | As is | by resynthesis (? - ? days) |
| P-2178728 | 90 | As is | 1.386 g |
| P-872760699 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.299 |
| logP | 3.2959 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 31.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 75.7367 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

