Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4440373615-0
Structure
Show compound
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 | 48 USD | 95 | 12 working days | Get Quote |
| 5 mg | 48 USD | 95 | 12 working days | Get Quote |
| 10 mg | 48 USD | 95 | 12 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-4563784813-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4440373615-0.sdf |
| SMILES | MCULE-4440373615-0.smiles |
| Standard InChI | MCULE-4440373615-0.inchi |
| InChIKey | MCULE-4440373615-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869241139 | 95 | Main component | by resynthesis (? - ? days) |
| P-893584203 | 90 | Main component | 702 mg |
| P-851905751 | N/A | Main component | by synthesis |
| P-1273267611 | 95 | Main component | by resynthesis (? - ? days) |
| P-1272613503 | 95 | Main component | in stock |
| P-591146057 | 97 | Main component | by synthesis |
| P-871213067 | 95 | Main component | by synthesis |
| P-887182264 | 95 | Main component | by synthesis |
| P-900266452 | 95 | Main component | in stock |
| P-580340590 | 95 | Main component | by resynthesis (? - ? days) |
| P-870661634 | N/A | Main component | in stock |
| P-873243261 | 97 | Main component | 5 mg |
| P-868744022 | 95 | Main component | in stock |
| P-905146182 | 95 | Main component | by synthesis |
| P-872674335 | 95 | Main component | in stock |
| P-888174735 | 98 | Main component | by synthesis |
| P-892296530 | 95 | Main component | unavailable |
| P-869161776 | 95 | Main component | 1.962 g |
| P-888657170 | 95 | Main component | 1.962 g |
| P-906891851 | 98 | Main component | by synthesis |
| P-869241168 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-904320561 | 90 | Main component as a main component | 5.003 g |
| P-1270311725 | 98 | Main component as a main component | in stock |
| P-851641995 | N/A | Main component as a main component | by synthesis |
| P-1273263316 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-905466397 | 95 | Main component as a main component | in stock |
| P-666946148 | 98 | Main component as a main component | by synthesis |
| P-901479502 | 95 | Main component as a main component | by synthesis |
| P-580451375 | 99 | Main component as a main component | in stock |
| P-887191206 | 95 | Main component as a main component | by synthesis |
| P-870659411 | N/A | Main component as a main component | in stock |
| P-1273110493 | 97 | Main component as a main component | 100 mg |
| P-868743832 | 95 | Main component as a main component | in stock |
| P-904640737 | 95 | Main component as a main component | by synthesis |
| P-474023924 | 95 | Main component as a main component | in stock |
| P-906838081 | 98 | Main component as a main component | by synthesis |
| P-1271684858 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 327.830 |
| logP | 3.3667 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 70.68 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.4437 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
