MCULE-9199340865
- 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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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-3570651674
- Component type: Unknown
-
MCULE-2371875256
- Component type: Main
-
MCULE-6714628964
- Component type: Main
-
MCULE-5557778917
- Component type: Main
-
MCULE-6456167750
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9199340865.sdf |
| SMILES | MCULE-9199340865.smiles |
| Standard InChI | MCULE-9199340865.inchi |
| InChIKey | MCULE-9199340865.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502485925 | 95 | As is | by synthesis |
| P-867414706 | N/A | As a main component | by synthesis |
| P-675257137 | 95 | As a main component | by synthesis |
| P-675271891 | 95 | As a main component | by synthesis |
| P-675271928 | 95 | As a main component | by synthesis |
| P-502485953 | 95 | As a main component | by synthesis |
| P-675527664 | 90 | As a main component | by synthesis |
| P-675488033 | 95 | As a main component | in stock |
| P-617805906 | 90 | As a main component | in stock |
| P-617817429 | 95 | As a main component | 300 mg |
| P-617970804 | 92 | As a main component | 300 mg |
| P-31142806 | 90 | As a main component | 500 mg |
| P-895344208 | 95 | As a main component | by synthesis |
| P-674717905 | 92 | As a main component | in stock |
| P-885529275 | 95 | As a main component | by synthesis |
| P-675098926 | 90 | As a main component | in stock |
| P-903634227 | 94 | As a main component | by resynthesis (? - ? days) |
| P-617776339 | 90 | As a main component | 1000 mg |
| P-617724754 | 90 | As a main component | 1000 mg |
| P-617782905 | 90 | As a main component | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.359 |
| logP | 1.4008 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 116.65 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.422 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

