Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5746817868
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
1
MCULE-6836446768
- Component type: Main
-
1
MCULE-5889111640
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5746817868.sdf |
| SMILES | MCULE-5746817868.smiles |
| Standard InChI | MCULE-5746817868.inchi |
| InChIKey | MCULE-5746817868.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-854536606 | 95 | As is | 300 mg |
| P-852099699 | 95 | Main component | by synthesis |
| P-889928292 | N/A | Main component | by synthesis |
| P-869260630 | 95 | Main component | in stock |
| P-596398139 | 90 | Main component | 104 mg |
| P-596491618 | 90 | Main component | 104 mg |
| P-608405499 | 90 | Main component | in stock |
| P-619323255 | 90 | Main component | 45 mg |
| P-113289 | 90 | Main component | 62 mg |
| P-19873017 | 90 | Main component | in stock |
| P-34517120 | 90 | Main component | by synthesis |
| P-12365200 | 95 | Main component | 300 mg |
| P-596594020 | 90 | Main component | 5 g |
| P-852564583 | N/A | Main component | in stock |
| P-854921938 | 95 | Main component | by synthesis |
| P-13264718 | 92 | Main component | 300 mg |
| P-885528966 | 95 | Main component | by synthesis |
| P-34122574 | 90 | Main component | in stock |
| P-22472325 | 90 | Main component | 133 mg |
| P-855337193 | 90 | Main component | in stock |
| P-597891 | 90 | Main component | 1.1 g |
| P-464682255 | 90 | Main component | 1.1 g |
| P-3243098 | 90 | Main component | 1.1 g |
| P-33247983 | 90 | Main component as a main component | in stock |
| P-33248115 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 358.390 |
| logP | 1.8967 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 156.86 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 103.8074 |
| Atoms | 51 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 26 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 |
