Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2736748797
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 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-7157160072
- Component type: Main
-
1
MCULE-3643444072
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2736748797.sdf |
| SMILES | MCULE-2736748797.smiles |
| Standard InChI | MCULE-2736748797.inchi |
| InChIKey | MCULE-2736748797.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597024941 | 95 | As is | in stock |
| P-903086334 | 98 | As is | 100 g |
| P-893281757 | 95 | As is | by synthesis |
| P-851267579 | 95 | As is | by synthesis |
| P-868646518 | 95 | As is | in stock |
| P-852444087 | N/A | As is | in stock |
| P-854819618 | 95 | As is | by synthesis |
| P-903061771 | 98 | Main component | 200 g |
| P-489137256 | 97 | Main component | in stock |
| P-494343197 | 95 | Main component | by resynthesis (? - ? days) |
| P-901144799 | 95 | Main component | 3.5 g |
| P-580707237 | 98 | Main component | 1.37 kg |
| P-505577251 | 98 | Main component | in stock |
| P-878240427 | 98 | Main component | in stock |
| P-505605760 | 95 | Main component | by synthesis |
| P-851257885 | 95 | Main component | by synthesis |
| P-868578236 | 98 | Main component | in stock |
| P-905332185 | 97 | Main component | 275 g |
| P-889112426 | 97 | Main component | 41.2 g |
| P-608081080 | 95 | Main component | 250 g |
| P-852482236 | N/A | Main component | in stock |
| P-854737558 | 95 | Main component | in stock |
| P-597026047 | 95 | Main component as a main component | in stock |
| P-489233255 | 97 | Main component as a main component | in stock |
| P-590743160 | 95 | Main component as a main component | by synthesis |
| P-619591121 | 97 | Main component as a main component | by synthesis |
| P-590767957 | 95 | Main component as a main component | by synthesis |
| P-851300557 | 95 | Main component as a main component | by synthesis |
| P-861436457 | 95 | Main component as a main component | by synthesis |
| P-895246440 | 95 | Main component as a main component | by synthesis |
| P-854765474 | 95 | Main component as a main component | by synthesis |
| P-888851896 | N/A | Main component as a main component | in stock |
| P-613816840 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 307.297 |
| logP | -1.2447 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 153.39 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 73.6669 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
