MCULE-6855526648
- 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 | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6855526648.sdf |
| SMILES | MCULE-6855526648.smiles |
| Standard InChI | MCULE-6855526648.inchi |
| InChIKey | MCULE-6855526648.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852118135 | 95 | As is | by synthesis |
| P-889943835 | N/A | As is | by synthesis |
| P-869254484 | 95 | As is | in stock |
| P-851897655 | N/A | As is | by synthesis |
| P-596427060 | 90 | As is | 461 mg |
| P-901359827 | 95 | As is | by synthesis |
| P-591039963 | 95 | As is | by synthesis |
| P-5179851 | 90 | As is | 25 mg |
| P-577155993 | 90 | As is | by synthesis |
| P-436464108 | 95 | As is | 5 g |
| P-34854082 | 90 | As is | in stock |
| P-861528673 | 95 | As is | by synthesis |
| P-890209060 | 90 | As is | in stock |
| P-579511130 | 90 | As is | 5 g |
| P-502502818 | 95 | As is | by synthesis |
| P-502806402 | 90 | As is | in stock |
| P-492227573 | 95 | As is | in stock |
| P-855975160 | 95 | As is | 5 g |
| P-31175692 | 90 | As is | unavailable |
| P-852434589 | N/A | As is | in stock |
| P-35173541 | 90 | As is | 614 g |
| P-854921613 | 95 | As is | by synthesis |
| P-12313014 | 90 | As is | 16 mg |
| P-19152704 | 90 | As is | in stock |
| P-502387549 | 90 | As is | in stock |
| P-23338876 | 94 | As is | by resynthesis (? - ? days) |
| P-855359631 | 90 | As is | in stock |
| P-25068515 | 90 | As is | 109 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.177 |
| logP | 0.9097 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 55.84 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.073 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 7 |
| 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 |

