MCULE-5411292127-0
- 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 | 99 | 20 working days | Get Quote |
| 5 mg | 6 USD | 99 | 20 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
-
MCULE-9163416934-0
- Component type: Unknown
-
MCULE-3448548814-0
- Component type: Main
-
MCULE-8082674134-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5411292127-0.sdf |
| SMILES | MCULE-5411292127-0.smiles |
| Standard InChI | MCULE-5411292127-0.inchi |
| InChIKey | MCULE-5411292127-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560410 | 98 | As is | in stock |
| P-875721755 | N/A | As is | in stock |
| P-505404122 | 95 | As is | in stock |
| P-505404525 | N/A | As is | in stock |
| P-856052493 | 95 | As is | by synthesis |
| P-596927775 | 99 | As is | 50 kg |
| P-864187588 | 98 | As is | in stock |
| P-901414740 | 95 | As is | in stock |
| P-505491424 | 95 | As is | in stock |
| P-488544578 | 90 | As is | in stock |
| P-13827523 | 95 | As is | 300 mg |
| P-613332686 | 95 | As is | by synthesis |
| P-428001717 | 95 | As is | 2.552 kg |
| P-454364179 | 92 | As is | in stock |
| P-23789091 | 92 | As is | 300 mg |
| P-500372830 | 98 | As is | by synthesis |
| P-611355537 | 90 | As is | in stock |
| P-855369639 | 90 | As is | in stock |
| P-893943692 | 95 | As is | in stock |
| P-901342924 | 95 | As a main component | by synthesis |
| P-860970030 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 121.179 |
| logP | 2.4066 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.9224 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

