Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4188404749-0
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 | 20 USD | 95 | 10 working days | Get Quote |
| 5 mg | 20 USD | 95 | 10 working days | Get Quote |
| 10 mg | 20 USD | 95 | 10 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-1635125426-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4188404749-0.sdf |
| SMILES | MCULE-4188404749-0.smiles |
| Standard InChI | MCULE-4188404749-0.inchi |
| InChIKey | MCULE-4188404749-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-853442466 | 95 | As is | by resynthesis (? - ? days) |
| P-851604476 | N/A | As is | by synthesis |
| P-590932970 | 95 | As is | by synthesis |
| P-895674763 | 95 | As is | by synthesis |
| P-1275192820 | 98 | Main component | in stock |
| P-905478638 | 97 | Main component | 100 g |
| P-893533643 | 90 | Main component | 361.02 g |
| P-901165706 | 96 | Main component | in stock |
| P-489172546 | 97 | Main component | in stock |
| P-589662180 | 95 | Main component | by resynthesis (? - ? days) |
| P-864112022 | 97 | Main component | in stock |
| P-492260337 | 95 | Main component | in stock |
| P-619928255 | 90 | Main component | by synthesis |
| P-436463170 | 95 | Main component | in stock |
| P-851278065 | 95 | Main component | by synthesis |
| P-868648825 | 97 | Main component | in stock |
| P-580424956 | 95 | Main component | by resynthesis (? - ? days) |
| P-575337126 | 95 | Main component | in stock |
| P-862021163 | 96 | Main component | 31.21 g |
| P-563390726 | 97 | Main component | 5 g |
| P-608086898 | 95 | Main component | in stock |
| P-1272577013 | N/A | Main component | 500 mg |
| P-852433799 | N/A | Main component | by synthesis |
| P-863701366 | 95 | Main component | in stock |
| P-885519074 | 95 | Main component | by synthesis |
| P-19678589 | 90 | Main component | in stock |
| P-596737130 | 97 | Main component | 63.5 g |
| P-873224925 | 90 | Main component | in stock |
| P-615392943 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 205.038 |
| logP | 3.4466 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 52.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.3884 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
