Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4436287946
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 | 7 USD | 98 | 11 working days | Get Quote |
| 5 mg | 7 USD | 98 | 11 working days | Get Quote |
| 10 mg | 7 USD | 98 | 11 working days | Get Quote |
- 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-8775715246
- Component type: Main
-
1
MCULE-3504782871
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4436287946.sdf |
| SMILES | MCULE-4436287946.smiles |
| Standard InChI | MCULE-4436287946.inchi |
| InChIKey | MCULE-4436287946.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588896 | 98 | Main component | in stock |
| P-875748363 | 98 | Main component | in stock |
| P-1275172757 | 98 | Main component | in stock |
| P-1275146210 | 95 | Main component | in stock |
| P-872726652 | 98 | Main component | in stock |
| P-1264055856 | 99 | Main component | in stock |
| P-851948473 | N/A | Main component | in stock |
| P-489157910 | 97 | Main component | in stock |
| P-596984474 | 96 | Main component | 1000 g |
| P-1273459220 | 95 | Main component | by resynthesis (? - ? days) |
| P-864158968 | 95 | Main component | in stock |
| P-881635130 | 98 | Main component | in stock |
| P-868627208 | 98 | Main component | in stock |
| P-580421120 | 95 | Main component | by resynthesis (? - ? days) |
| P-861926521 | 95 | Main component | 4.56313 kg |
| P-901365223 | 95 | Main component | 59 g |
| P-588280874 | 95 | Main component | in stock |
| P-870662611 | 98 | Main component | in stock |
| P-596602786 | 95 | Main component | 2 g |
| P-608082049 | 95 | Main component | in stock |
| P-31249069 | 90 | Main component | unavailable |
| P-580493152 | 97 | Main component | by synthesis |
| P-852606306 | 97 | Main component | by synthesis |
| P-904639791 | 95 | Main component | in stock |
| P-854692992 | 95 | Main component | in stock |
| P-474025865 | 95 | Main component | in stock |
| P-619672473 | 98 | Main component | in stock |
| P-500381653 | 98 | Main component | by synthesis |
| P-889868191 | 95 | Main component | by synthesis |
| P-617403784 | 98 | Main component | in stock |
| P-869177296 | 95 | Main component | in stock |
| P-594273774 | 95 | Main component | 203 mg |
| P-892295376 | 95 | Main component | 3.203 g |
| P-892337779 | 95 | Main component | 3.203 g |
| P-611351409 | 90 | Main component | in stock |
| P-855032101 | 90 | Main component | in stock |
| P-1271698864 | 98 | Main component | in stock |
| P-901453666 | 95 | Main component as a main component | by synthesis |
| P-1263156487 | 95 | Main component as a main component | by synthesis |
| P-855090239 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 163.352 |
| logP | 0.6311 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 108.25 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 23.4429 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
