Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3549721562-0
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 | 53 USD | 90 | 22 working days | Get Quote |
| 10 mg | 69 USD | 90 | 22 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-1524837815-0
- Component type: Main
-
MCULE-6763999887-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3549721562-0.sdf |
| SMILES | MCULE-3549721562-0.smiles |
| Standard InChI | MCULE-3549721562-0.inchi |
| InChIKey | MCULE-3549721562-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620248 | 95 | As is | in stock |
| P-875782380 | 95 | As is | in stock |
| P-613855951 | 95 | As is | by resynthesis (? - ? days) |
| P-907556024 | 90 | As is | by synthesis |
| P-867716582 | N/A | As is | in stock |
| P-489186703 | 97 | As is | in stock |
| P-864271633 | 95 | As is | by synthesis |
| P-591069156 | 95 | As is | by synthesis |
| P-861484652 | 95 | As is | by synthesis |
| P-580424598 | 95 | As is | by resynthesis (? - ? days) |
| P-890214250 | 90 | As is | in stock |
| P-590336677 | 90 | As is | 1000 mg |
| P-613333544 | 95 | As is | by synthesis |
| P-854790959 | 95 | As is | by synthesis |
| P-859992218 | 95 | As is | by synthesis |
| P-873219018 | 90 | As is | in stock |
| P-906801441 | 98 | As is | by synthesis |
| P-906826027 | 97 | As is | by synthesis |
| P-906819927 | 97 | As is | by synthesis |
| P-906754675 | 99 | As is | by synthesis |
| P-906872514 | 95 | As is | by synthesis |
| P-611563735 | 90 | As is | in stock |
| P-867655036 | 95 | As a main component | in stock |
| P-875823196 | 95 | As a main component | in stock |
| P-894655293 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264607546 | 95 | As a main component | 10 g |
| P-851867588 | N/A | As a main component | by synthesis |
| P-851911781 | N/A | As a main component | by synthesis |
| P-869393986 | 95 | As a main component | by synthesis |
| P-591166844 | 95 | As a main component | by synthesis |
| P-591156851 | 95 | As a main component | by synthesis |
| P-901493686 | 95 | As a main component | by synthesis |
| P-492254601 | 95 | As a main component | in stock |
| P-872447005 | 90 | As a main component | 100 mg |
| P-619928296 | 90 | As a main component | by synthesis |
| P-584595597 | 95 | As a main component | in stock |
| P-861494033 | 95 | As a main component | by synthesis |
| P-596578619 | 95 | As a main component | 100 mg |
| P-852405072 | N/A | As a main component | by synthesis |
| P-895778207 | 95 | As a main component | by synthesis |
| P-854790728 | 95 | As a main component | by synthesis |
| P-611429365 | 90 | As a main component | in stock |
| P-615645444 | 95 | As a main component | unavailable |
| P-893648837 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 142.225 |
| logP | 1.9189 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 39.7194 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
