Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6312176764-0
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 | 104 USD | 90 | 27 working days | Get Quote |
| 5 mg | 117 USD | 90 | 27 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 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-6828509638-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6312176764-0.sdf |
| SMILES | MCULE-6312176764-0.smiles |
| Standard InChI | MCULE-6312176764-0.inchi |
| InChIKey | MCULE-6312176764-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886815035 | 95 | As is | in stock |
| P-890092095 | N/A | As is | by synthesis |
| P-903427349 | 95 | As is | 5 g |
| P-905018209 | N/A | As is | by synthesis |
| P-905589502 | 95 | As is | by synthesis |
| P-893791003 | 95 | As is | by synthesis |
| P-886689540 | 95 | Main component | in stock |
| P-889989942 | N/A | Main component | by synthesis |
| P-869306741 | 95 | Main component | in stock |
| P-903255883 | 95 | Main component | 1000 mg |
| P-893456938 | 90 | Main component | 278 mg |
| P-851798793 | N/A | Main component | by synthesis |
| P-611138586 | 95 | Main component | by synthesis |
| P-901461555 | 95 | Main component | by synthesis |
| P-601219729 | 95 | Main component | 273 mg |
| P-870616254 | 90 | Main component | 273 mg |
| P-854855412 | 95 | Main component | by synthesis |
| P-859991006 | 95 | Main component | by synthesis |
| P-519956994 | 90 | Main component | in stock |
| P-611604482 | 90 | Main component | in stock |
| P-893724844 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 291.178 |
| logP | 1.8401 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 58.35 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 81.0367 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
