Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1413802432
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-3169724629
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1413802432.sdf |
| SMILES | MCULE-1413802432.smiles |
| Standard InChI | MCULE-1413802432.inchi |
| InChIKey | MCULE-1413802432.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893142300 | N/A | As is | by synthesis |
| P-904222082 | 95 | As is | by synthesis |
| P-904238718 | 95 | As is | unavailable |
| P-893140447 | N/A | Main component | by synthesis |
| P-867662210 | 98 | Main component | in stock |
| P-869182553 | 95 | Main component | in stock |
| P-505354617 | 98 | Main component | in stock |
| P-505389137 | 98 | Main component | in stock |
| P-606935133 | N/A | Main component | in stock |
| P-596985891 | 98 | Main component | 1000 g |
| P-579788077 | 95 | Main component | unavailable |
| P-864206213 | 95 | Main component | in stock |
| P-893234543 | 95 | Main component | in stock |
| P-893234716 | 95 | Main component | in stock |
| P-4594772 | 90 | Main component | 25 mg |
| P-34856193 | 90 | Main component | in stock |
| P-851278643 | 95 | Main component | by synthesis |
| P-580450357 | 98 | Main component | in stock |
| P-34765417 | 90 | Main component | in stock |
| P-905318142 | 95 | Main component | 4 g |
| P-500417852 | 98 | Main component | in stock |
| P-502581126 | 95 | Main component | by synthesis |
| P-890851941 | 90 | Main component | in stock |
| P-488555715 | 92 | Main component | in stock |
| P-856009353 | 97 | Main component | 100 mg |
| P-31155336 | 90 | Main component | unavailable |
| P-856043898 | 90 | Main component | unavailable |
| P-428001867 | 90 | Main component | 4.45 kg |
| P-881189301 | 90 | Main component | 50 mg |
| P-34013413 | 90 | Main component | 45 mg |
| P-500377718 | 98 | Main component | by synthesis |
| P-885520358 | 95 | Main component | by synthesis |
| P-34140787 | 90 | Main component | in stock |
| P-579711887 | N/A | Main component | in stock |
| P-892220549 | 95 | Main component | by synthesis |
| P-869175685 | 95 | Main component | in stock |
| P-892288251 | 95 | Main component | 1.103 g |
| P-892314829 | 95 | Main component | 1.103 g |
| P-22779293 | 90 | Main component | in stock |
| P-502365071 | 90 | Main component | in stock |
| P-875236907 | 90 | Main component | 100 mg |
| P-906776947 | 98 | Main component | by synthesis |
| P-611517958 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 260.139 |
| logP | 0.683 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 127.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.5285 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 5 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
