Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4318855847
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 | 5 USD | 97 | 14 working days | Get Quote |
| 5 mg | 5 USD | 97 | 14 working days | Get Quote |
| 10 mg | 5 USD | 97 | 14 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-8136306463
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4318855847.sdf |
| SMILES | MCULE-4318855847.smiles |
| Standard InChI | MCULE-4318855847.inchi |
| InChIKey | MCULE-4318855847.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903076963 | 98 | As is | 11 kg |
| P-489118891 | 97 | As is | in stock |
| P-895915795 | 95 | As is | by resynthesis (? - ? days) |
| P-580711112 | 97 | As is | 1.235 kg |
| P-868591807 | 98 | As is | in stock |
| P-862022324 | 98 | As is | 308 g |
| P-1264349112 | 98 | As is | 308 g |
| P-896629055 | 95 | As is | by synthesis |
| P-854691064 | 95 | As is | in stock |
| P-584620725 | 95 | As is | in stock |
| P-489157132 | 97 | Main component | in stock |
| P-494353582 | 95 | Main component | 2.36775 kg |
| P-580721117 | 98 | Main component | 1.195 kg |
| P-452649460 | 98 | Main component | in stock |
| P-851278364 | 95 | Main component | by synthesis |
| P-868579745 | 97 | Main component | in stock |
| P-1264357491 | 95 | Main component | 220 g |
| P-862091218 | 95 | Main component | 220 g |
| P-493678342 | N/A | Main component | in stock |
| P-889736785 | 95 | Main component | 1000 mg |
| P-901577356 | 95 | Main component | in stock |
| P-854690818 | 95 | Main component | in stock |
| P-579710911 | N/A | Main component | in stock |
| P-903203410 | 97 | Main component as a main component | 1.5 kg |
| P-903209641 | 98 | Main component as a main component | 4 kg |
| P-895912783 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-895912784 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580699449 | 97 | Main component as a main component | 655 g |
| P-666964655 | 95 | Main component as a main component | 83.2 g |
| P-868617488 | 97 | Main component as a main component | in stock |
| P-889440854 | 98 | Main component as a main component | 229 g |
| P-889441477 | 98 | Main component as a main component | 77 g |
| P-1264369114 | 98 | Main component as a main component | 229 g |
| P-852602123 | N/A | Main component as a main component | in stock |
| P-899988812 | 95 | Main component as a main component | by synthesis |
| P-870132554 | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 197.658 |
| logP | -3.4678 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.036 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
