Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4234999496-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 40 USD | 95 | 7 working days | Get Quote |
| 10 mg | 67 USD | 95 | 7 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-8496410854-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4234999496-0.sdf |
| SMILES | MCULE-4234999496-0.smiles |
| Standard InChI | MCULE-4234999496-0.inchi |
| InChIKey | MCULE-4234999496-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851266060 | 95 | As is | by synthesis |
| P-1264389227 | 95 | As is | by synthesis |
| P-888170783 | 98 | As is | by synthesis |
| P-867630585 | N/A | As a main component | in stock |
| P-875794410 | 98 | As a main component | in stock |
| P-869221694 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893528730 | 90 | As a main component | 5.106 g |
| P-1270346047 | 99 | As a main component | in stock |
| P-867732854 | N/A | As a main component | by synthesis |
| P-888818761 | N/A | As a main component | 200 mg |
| P-1273262830 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1268596612 | 95 | As a main component | by synthesis |
| P-1264195844 | 99 | As a main component | by synthesis |
| P-871216295 | 95 | As a main component | by synthesis |
| P-861286584 | 98 | As a main component | in stock |
| P-887184335 | 95 | As a main component | by synthesis |
| P-868660632 | 95 | As a main component | in stock |
| P-854621624 | 98 | As a main component | in stock |
| P-870660713 | N/A | As a main component | in stock |
| P-1273110522 | 97 | As a main component | 100 mg |
| P-854716737 | 95 | As a main component | in stock |
| P-1272497330 | 95 | As a main component | by synthesis |
| P-871075118 | 95 | As a main component | in stock |
| P-892291126 | 95 | As a main component | unavailable |
| P-869126889 | 95 | As a main component | 150 mg |
| P-888640128 | 95 | As a main component | 150 mg |
| P-596714501 | 90 | As a main component | 3 mg |
| P-906837898 | 99 | As a main component | by synthesis |
| P-611471874 | 90 | As a main component | in stock |
| P-855066873 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 327.416 |
| logP | 3.4528 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.8968 |
| Atoms | 49 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 25 |
| 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 |
