MCULE-2918056790
- 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-2918056790.sdf |
| SMILES | MCULE-2918056790.smiles |
| Standard InChI | MCULE-2918056790.inchi |
| InChIKey | MCULE-2918056790.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867540121 | 98 | As is | in stock |
| P-875696247 | N/A | As is | in stock |
| P-590365965 | 98 | As is | in stock |
| P-903018513 | 98 | As is | 200 g |
| P-606868396 | N/A | As is | in stock |
| P-489222481 | 97 | As is | in stock |
| P-596937834 | 98 | As is | 200 g |
| P-589659264 | 95 | As is | by resynthesis (? - ? days) |
| P-864146929 | 97 | As is | in stock |
| P-580733820 | 98 | As is | 16.25 g |
| P-893231760 | 95 | As is | in stock |
| P-851318910 | 95 | As is | by synthesis |
| P-868613531 | 97 | As is | in stock |
| P-862017964 | 95 | As is | 229.736 g |
| P-905342331 | 95 | As is | 60 g |
| P-870657103 | N/A | As is | in stock |
| P-901639349 | 98 | As is | 999 mg |
| P-524186040 | 98 | As is | 25 g |
| P-31161300 | 90 | As is | 500 mg |
| P-852380065 | N/A | As is | in stock |
| P-854734835 | 95 | As is | in stock |
| P-885546788 | 95 | As is | by synthesis |
| P-896082165 | N/A | As is | 27.42 g |
| P-596775002 | 98 | As is | 82.25 g |
| P-906759088 | 98 | As is | by synthesis |
| P-615448429 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.216 |
| logP | 2.6232 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.3395 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

