MCULE-2198277021
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-2198277021.sdf |
| SMILES | MCULE-2198277021.smiles |
| Standard InChI | MCULE-2198277021.inchi |
| InChIKey | MCULE-2198277021.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867590114 | 98 | As is | in stock |
| P-875749492 | N/A | As is | in stock |
| P-575539479 | 95 | As is | in stock |
| P-903080591 | 98 | As is | 1000 g |
| P-905483785 | 97 | As is | 100 g |
| P-606833629 | N/A | As is | in stock |
| P-596955879 | 98 | As is | 1000 g |
| P-494419074 | 95 | As is | by resynthesis (? - ? days) |
| P-864151428 | 97 | As is | in stock |
| P-580701226 | 98 | As is | 800 g |
| P-868599452 | 98 | As is | in stock |
| P-580427096 | 95 | As is | by resynthesis (? - ? days) |
| P-905361946 | 98 | As is | 100 g |
| P-861977910 | 98 | As is | 2.2746 kg |
| P-870661565 | N/A | As is | in stock |
| P-856008193 | 97 | As is | unavailable |
| P-588710271 | 97 | As is | unavailable |
| P-613276011 | 95 | As is | by synthesis |
| P-852459713 | N/A | As is | in stock |
| P-854756155 | 95 | As is | in stock |
| P-584626896 | 95 | As is | in stock |
| P-885546857 | 95 | As is | by synthesis |
| P-596790484 | 98 | As is | 5.95085 kg |
| P-869125580 | 95 | As is | by synthesis |
| P-888639134 | 95 | As is | unavailable |
| P-906779207 | 98 | As is | by synthesis |
| P-611377570 | 90 | As is | in stock |
| P-615396280 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 276.403 |
| logP | 1.6458 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 86.2008 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 1 |
| 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 |

