MCULE-5332136932
- 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 | 210 USD | 95 | 22 working days | Get Quote |
| 5 mg | 210 USD | 95 | 22 working days | Get Quote |
| 10 mg | 210 USD | 95 | 22 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-6749560540
- Component type: Main
-
MCULE-5748518234
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5332136932.sdf |
| SMILES | MCULE-5332136932.smiles |
| Standard InChI | MCULE-5332136932.inchi |
| InChIKey | MCULE-5332136932.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886612019 | 95 | As is | in stock |
| P-869421235 | 95 | As is | by synthesis |
| P-901435853 | 95 | As is | by synthesis |
| P-613337805 | 95 | As is | by synthesis |
| P-855286543 | 90 | As is | in stock |
| P-893827203 | 95 | As is | by synthesis |
| P-886568204 | 95 | As a main component | in stock |
| P-889908525 | N/A | As a main component | by synthesis |
| P-590360665 | 95 | As a main component | in stock |
| P-903086282 | 95 | As a main component | 2.5 g |
| P-907560377 | 90 | As a main component | by synthesis |
| P-864233415 | 95 | As a main component | by synthesis |
| P-864087647 | 95 | As a main component | in stock |
| P-893239036 | 95 | As a main component | in stock |
| P-906881310 | 95 | As a main component | by synthesis |
| P-611611989 | 90 | As a main component | in stock |
| P-886945381 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.659 |
| logP | 3.0228 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 41.81 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.7891 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

