MCULE-1756920233
- 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 | 162 USD | 95 | 7 working days | Get Quote |
| 5 mg | 398 USD | 95 | 7 working days | Get Quote |
| 10 mg | 543 USD | 95 | 7 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-1756920233.sdf |
| SMILES | MCULE-1756920233.smiles |
| Standard InChI | MCULE-1756920233.inchi |
| InChIKey | MCULE-1756920233.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892857929 | N/A | As is | in stock |
| P-890149548 | N/A | As is | in stock |
| P-893607468 | 90 | As is | 124 mg |
| P-905016917 | N/A | As is | by synthesis |
| P-881095864 | N/A | As is | 25 mg |
| P-1273264890 | 95 | As is | by resynthesis (? - ? days) |
| P-905585459 | 97 | As is | by synthesis |
| P-888622935 | 95 | As is | 1 mg |
| P-895181982 | 95 | As is | in stock |
| P-892294266 | 95 | As is | unavailable |
| P-892248964 | 95 | As is | 100 mg |
| P-892335061 | 95 | As is | 100 mg |
| P-1271627319 | 100 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 338.308 |
| logP | 1.88 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 139.84 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 85.732 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |

