Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7773131238-2
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 | 60 USD | 98 | 27 working days | Get Quote |
| 5 mg | 60 USD | 98 | 27 working days | Get Quote |
| 10 mg | 60 USD | 98 | 27 working days | Get Quote |
- 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-5563720626-0
- Component type: Main
-
MCULE-7087697947-0
- Component type: Main
-
MCULE-6365029326-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7773131238-2.sdf |
| SMILES | MCULE-7773131238-2.smiles |
| Standard InChI | MCULE-7773131238-2.inchi |
| InChIKey | MCULE-7773131238-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-616210128 | 98 | As a main component | by resynthesis (? - ? days) |
| P-616212838 | 98 | As a main component | by resynthesis (? - ? days) |
| P-616216418 | 70 | As a main component | by resynthesis (? - ? days) |
| P-901502146 | 95 | As a main component | by synthesis |
| P-893240787 | 95 | As a main component | in stock |
| P-675216884 | 95 | As a main component | in stock |
| P-855342890 | 90 | As a main component | in stock |
| P-855342874 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.084 |
| logP | -1.3904 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 242.22 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 52.6564 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 |
