Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5656516553
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 | 116 USD | N/A | 17 working days | Get Quote |
| 5 mg | 116 USD | N/A | 17 working days | Get Quote |
| 10 mg | 116 USD | N/A | 17 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-6930908540
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5656516553.sdf |
| SMILES | MCULE-5656516553.smiles |
| Standard InChI | MCULE-5656516553.inchi |
| InChIKey | MCULE-5656516553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655515 | 95 | As is | in stock |
| P-889952765 | N/A | As is | by synthesis |
| P-869234565 | 95 | As is | in stock |
| P-903216609 | 95 | As is | 2.5 g |
| P-610899217 | 90 | As is | by synthesis |
| P-851672893 | N/A | As is | by synthesis |
| P-590892273 | 95 | As is | by synthesis |
| P-901518197 | 95 | As is | by synthesis |
| P-454759298 | 90 | As is | in stock |
| P-34586372 | 90 | As is | in stock |
| P-580778892 | 90 | As is | by resynthesis (? - ? days) |
| P-605203219 | 90 | As is | in stock |
| P-580509343 | N/A | As is | by synthesis |
| P-854860377 | 95 | As is | by synthesis |
| P-491131416 | 95 | As is | by synthesis |
| P-33467302 | 90 | As is | in stock |
| P-886968033 | 95 | As is | by synthesis |
| P-892974496 | N/A | As a main component | by synthesis |
| P-861297060 | 90 | As a main component | in stock |
| P-580816383 | 90 | As a main component | by resynthesis (? - ? days) |
| P-580774806 | 90 | As a main component | in stock |
| P-896586492 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.238 |
| logP | 3.777 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.5894 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
