Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7528060329
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-9980380217
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7528060329.sdf |
| SMILES | MCULE-7528060329.smiles |
| Standard InChI | MCULE-7528060329.inchi |
| InChIKey | MCULE-7528060329.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886673743 | 95 | As is | in stock |
| P-889975996 | N/A | As is | by synthesis |
| P-869373704 | 95 | As is | in stock |
| P-903239782 | 95 | As is | 2.5 g |
| P-851826140 | N/A | As is | by synthesis |
| P-611146305 | 95 | As is | by synthesis |
| P-901416436 | 95 | As is | by synthesis |
| P-895464680 | 95 | As is | by synthesis |
| P-611611878 | 90 | As is | in stock |
| P-893753433 | 95 | As is | by synthesis |
| P-893085601 | N/A | Main component | by synthesis |
| P-851689004 | N/A | Main component | by synthesis |
| P-611127199 | 95 | Main component | by synthesis |
| P-502503822 | 95 | Main component | by synthesis |
| P-424890594 | 90 | Main component | in stock |
| P-873213520 | 90 | Main component | in stock |
| P-25473355 | 90 | Main component | 123 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.690 |
| logP | 2.5578 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.7261 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
