MCULE-7638122818
- 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 | 144 USD | 95 | 15 working days | Get Quote |
| 5 mg | 144 USD | 95 | 15 working days | Get Quote |
| 10 mg | 144 USD | 95 | 15 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-7638122818.sdf |
| SMILES | MCULE-7638122818.smiles |
| Standard InChI | MCULE-7638122818.inchi |
| InChIKey | MCULE-7638122818.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872831699 | 95 | As is | in stock |
| P-875809839 | N/A | As is | in stock |
| P-892782912 | 95 | As is | in stock |
| P-903169782 | 95 | As is | 3 g |
| P-868819289 | N/A | As is | in stock |
| P-873296140 | 95 | As is | 3 g |
| P-1263773034 | 95 | As is | by synthesis |
| P-868954870 | 95 | As is | 1.87 g |
| P-893263739 | 95 | As is | by synthesis |
| P-887319161 | 95 | As is | by synthesis |
| P-893972244 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 143.227 |
| logP | 2.7296 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.9607 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 17 |
| 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 |

