Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5416654087
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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 USD | 97 | 20 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-4596962992
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5416654087.sdf |
| SMILES | MCULE-5416654087.smiles |
| Standard InChI | MCULE-5416654087.inchi |
| InChIKey | MCULE-5416654087.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870986731 | 90 | As is | 300 mg |
| P-867584651 | 98 | Main component | in stock |
| P-875743172 | N/A | Main component | in stock |
| P-903073140 | 98 | Main component | 100 g |
| P-905476913 | 98 | Main component | 1000 mg |
| P-606882218 | N/A | Main component | in stock |
| P-489105470 | 97 | Main component | in stock |
| P-596953909 | 97 | Main component | 50 g |
| P-864111014 | 97 | Main component | in stock |
| P-590624506 | 98 | Main component | 41.25 g |
| P-851297889 | 95 | Main component | by synthesis |
| P-505520459 | 95 | Main component | in stock |
| P-579453166 | 97 | Main component | 10 g |
| P-608083959 | 97 | Main component | 250 g |
| P-856010866 | 90 | Main component | unavailable |
| P-613283612 | 95 | Main component | by synthesis |
| P-852377997 | N/A | Main component | in stock |
| P-888859883 | N/A | Main component | in stock |
| P-889879012 | 95 | Main component | by synthesis |
| P-613805804 | 95 | Main component | in stock |
| P-498702523 | 97 | Main component | 82.5 g |
| P-611517371 | 90 | Main component | in stock |
| P-611473991 | 90 | Main component | in stock |
| P-580449912 | 97 | Main component | in stock |
| P-575299932 | 95 | Main component | in stock |
| P-867397657 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 243.256 |
| logP | 0.2957 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 94.91 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.4316 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
