MCULE-5449241167-1
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-5449241167-1.sdf |
| SMILES | MCULE-5449241167-1.smiles |
| Standard InChI | MCULE-5449241167-1.inchi |
| InChIKey | MCULE-5449241167-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638831 | 95 | As is | in stock |
| P-875804573 | N/A | As is | in stock |
| P-903161901 | 95 | As is | 50 g |
| P-864215262 | 95 | As is | by synthesis |
| P-454634292 | 90 | As is | in stock |
| P-436469240 | 95 | As is | in stock |
| P-868566544 | 96 | As is | in stock |
| P-502855850 | 90 | As is | in stock |
| P-492225044 | 95 | As is | in stock |
| P-488548962 | 90 | As is | in stock |
| P-13666486 | 95 | As is | 300 mg |
| P-601062665 | 90 | As is | 59 mg |
| P-14064010 | 95 | As is | 59 mg |
| P-580504622 | N/A | As is | by synthesis |
| P-454367831 | 92 | As is | in stock |
| P-885518455 | 95 | As is | by synthesis |
| P-19550383 | 90 | As is | in stock |
| P-611372190 | 90 | As is | in stock |
| P-1212492 | 90 | As is | 3.928 g |
| P-3224761 | 90 | As is | 3.928 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.626 |
| logP | 2.4283 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.993 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

