MCULE-6034468132
- 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 | 7 working days | Get Quote |
| 5 mg | 61 USD | 95 | 7 working days | Get Quote |
| 10 mg | 88 USD | 95 | 7 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-1765937122
- Component type: Main
-
MCULE-7647781027
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6034468132.sdf |
| SMILES | MCULE-6034468132.smiles |
| Standard InChI | MCULE-6034468132.inchi |
| InChIKey | MCULE-6034468132.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886677150 | 95 | As a main component | in stock |
| P-890178530 | N/A | As a main component | in stock |
| P-874627531 | 97 | As a main component | in stock |
| P-903242690 | 95 | As a main component | 200 mg |
| P-893607777 | 90 | As a main component | 1.189 g |
| P-891648606 | N/A | As a main component | by synthesis |
| P-489159684 | 97 | As a main component | in stock |
| P-905528820 | 95 | As a main component | by synthesis |
| P-901465905 | 95 | As a main component | by synthesis |
| P-888623176 | 95 | As a main component | 100 mg |
| P-895183790 | 95 | As a main component | in stock |
| P-888174625 | 98 | As a main component | by synthesis |
| P-869161344 | 95 | As a main component | by synthesis |
| P-892295595 | 95 | As a main component | unavailable |
| P-888656580 | 95 | As a main component | 200 mg |
| P-893747239 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.465 |
| logP | 4.0826 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 7.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 96.408 |
| Atoms | 52 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 30 |
| 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 |

