Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9516238746
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 | 18 USD | 98 | 14 working days | Get Quote |
| 5 mg | 18 USD | 98 | 14 working days | Get Quote |
| 10 mg | 71 USD | 98 | 14 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-2236509860
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9516238746.sdf |
| SMILES | MCULE-9516238746.smiles |
| Standard InChI | MCULE-9516238746.inchi |
| InChIKey | MCULE-9516238746.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903035262 | 98 | As is | 3 g |
| P-893584352 | 90 | As is | 10.497 g |
| P-489243715 | 97 | As is | in stock |
| P-871212275 | 95 | As is | by synthesis |
| P-861380986 | 95 | As is | by synthesis |
| P-868658375 | 95 | As is | in stock |
| P-854721678 | 95 | As is | in stock |
| P-871075788 | 95 | As is | in stock |
| P-878642288 | 98 | As is | in stock |
| P-903355138 | 95 | Main component | 200 mg |
| P-904320197 | 90 | Main component as a main component | 1.003 g |
| P-887190253 | 95 | Main component as a main component | by synthesis |
| P-868658737 | 95 | Main component as a main component | in stock |
| P-854718202 | 95 | Main component as a main component | in stock |
| P-584625774 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 415.478 |
| logP | 3.2024 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 116.09 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 113.3161 |
| Atoms | 59 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
