Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3225570797
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 | 20 USD | 98 | 15 working days | Get Quote |
| 5 mg | 57 USD | 98 | 15 working days | Get Quote |
| 10 mg | 90 USD | 98 | 16 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.
-
MCULE-8294236163
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3225570797.sdf |
| SMILES | MCULE-3225570797.smiles |
| Standard InChI | MCULE-3225570797.inchi |
| InChIKey | MCULE-3225570797.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624421 | 98 | As a main component | in stock |
| P-875787662 | N/A | As a main component | in stock |
| P-595216114 | 98 | As a main component | in stock |
| P-903136266 | 98 | As a main component | 100 mg |
| P-1264053042 | 95 | As a main component | in stock |
| P-893465985 | 90 | As a main component | 715 mg |
| P-888730535 | N/A | As a main component | in stock |
| P-865918359 | 98 | As a main component | 100 mg |
| P-889777699 | 95 | As a main component | in stock |
| P-890238230 | 98 | As a main component | 79 mg |
| P-851315041 | 95 | As a main component | by synthesis |
| P-861286039 | 98 | As a main component | in stock |
| P-887184088 | 95 | As a main component | by synthesis |
| P-608498667 | 95 | As a main component | in stock |
| P-675215535 | 95 | As a main component | in stock |
| P-873250394 | 97 | As a main component | 50 mg |
| P-854713141 | 95 | As a main component | in stock |
| P-584626012 | 95 | As a main component | in stock |
| P-608274379 | 98 | As a main component | in stock |
| P-885539333 | 95 | As a main component | by synthesis |
| P-869162894 | 95 | As a main component | by synthesis |
| P-892298739 | 95 | As a main component | unavailable |
| P-888658352 | 95 | As a main component | 43 mg |
| P-906840149 | 98 | As a main component | by synthesis |
| P-868508076 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 495.673 |
| logP | 6.8488 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 38.33 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 153.1951 |
| Atoms | 76 |
| Rings | 5 |
| Heavy atoms | 37 |
| Hydrogen atoms | 39 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
