Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8204704578-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 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-3552443082-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8204704578-0.sdf |
| SMILES | MCULE-8204704578-0.smiles |
| Standard InChI | MCULE-8204704578-0.inchi |
| InChIKey | MCULE-8204704578-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901232697 | N/A | As is | by synthesis |
| P-894655433 | 95 | As is | in stock |
| P-851914972 | N/A | As is | by synthesis |
| P-591055270 | 97 | As is | by synthesis |
| P-619313961 | 90 | As is | 18 mg |
| P-861539754 | 95 | As is | by synthesis |
| P-34721725 | 90 | As is | in stock |
| P-580787887 | 90 | As is | by resynthesis (? - ? days) |
| P-852406080 | N/A | As is | in stock |
| P-854929652 | 95 | As is | by synthesis |
| P-502440864 | 90 | As is | in stock |
| P-873215241 | 90 | As is | in stock |
| P-611398491 | 90 | As is | in stock |
| P-852180087 | N/A | Main component | by synthesis |
| P-901350271 | 95 | Main component | by synthesis |
| P-454684999 | 90 | Main component | in stock |
| P-895407750 | 95 | Main component | by synthesis |
| P-23967647 | 90 | Main component | in stock |
| P-1576766 | 90 | Main component | 114 mg |
| P-886672661 | 95 | Main component as a main component | in stock |
| P-889974763 | N/A | Main component as a main component | by synthesis |
| P-869290939 | 95 | Main component as a main component | in stock |
| P-903238408 | 95 | Main component as a main component | 2.5 g |
| P-851888248 | N/A | Main component as a main component | by synthesis |
| P-889505357 | 95 | Main component as a main component | by synthesis |
| P-591140053 | 95 | Main component as a main component | by synthesis |
| P-895407751 | 95 | Main component as a main component | by synthesis |
| P-611398492 | 90 | Main component as a main component | in stock |
| P-893732820 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 283.305 |
| logP | -0.6165 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 158.41 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 69.3127 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
