MCULE-1689131177
- 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 | 52 USD | 98 | 20 working days | Get Quote |
| 5 mg | 52 USD | 98 | 20 working days | Get Quote |
| 10 mg | 52 USD | 98 | 20 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-1689131177.sdf |
| SMILES | MCULE-1689131177.smiles |
| Standard InChI | MCULE-1689131177.inchi |
| InChIKey | MCULE-1689131177.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827580 | 98 | As is | in stock |
| P-875752937 | 98 | As is | in stock |
| P-590400175 | 95 | As is | by resynthesis (? - ? days) |
| P-903086215 | 98 | As is | 25 g |
| P-893504602 | 90 | As is | 30 g |
| P-1270369068 | 98 | As is | in stock |
| P-580255084 | 95 | As is | by synthesis |
| P-868821345 | N/A | As is | in stock |
| P-489170767 | 97 | As is | in stock |
| P-868828891 | 98 | As is | 5 g |
| P-864139627 | 97 | As is | in stock |
| P-866716442 | 98 | As is | 1.25 g |
| P-851253011 | 95 | As is | by synthesis |
| P-868587678 | 95 | As is | in stock |
| P-862016843 | 98 | As is | 25 g |
| P-855393510 | 96 | As is | in stock |
| P-524188894 | 95 | As is | 250 mg |
| P-1275071386 | 95 | As is | by resynthesis (? - ? days) |
| P-580474595 | 98 | As is | by synthesis |
| P-1272598357 | 95 | As is | 750 mg |
| P-852525006 | 95 | As is | by synthesis |
| P-505623173 | 98 | As is | in stock |
| P-888864764 | N/A | As is | in stock |
| P-889865457 | 95 | As is | by synthesis |
| P-904096721 | 97 | As is | 15 g |
| P-906811843 | 98 | As is | by synthesis |
| P-611346568 | 90 | As is | in stock |
| P-893933187 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.054 |
| logP | 1.5199 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 31.35 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 60.671 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |

