Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3407549224-0
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 | 11 USD | 95 | 22 working days | Get Quote |
| 5 mg | 13 USD | 95 | 22 working days | Get Quote |
| 10 mg | 20 USD | 95 | 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.
-
1
MCULE-8127343250-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3407549224-0.sdf |
| SMILES | MCULE-3407549224-0.smiles |
| Standard InChI | MCULE-3407549224-0.inchi |
| InChIKey | MCULE-3407549224-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903166024 | 97 | As is | 2 g |
| P-872934986 | 97 | Main component | in stock |
| P-890142100 | 98 | Main component | in stock |
| P-489231867 | 97 | Main component | in stock |
| P-1272615888 | 95 | Main component | by synthesis |
| P-895199339 | 95 | Main component | by synthesis |
| P-1264440448 | 95 | Main component | in stock |
| P-869124641 | 95 | Main component | unavailable |
| P-888638359 | 95 | Main component | unavailable |
| P-611506069 | 90 | Main component | in stock |
| P-588815190 | N/A | Main component | by synthesis |
| P-886928840 | 95 | Main component | by synthesis |
| P-867641871 | 95 | Main component as a main component | in stock |
| P-874618077 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1264053382 | 98 | Main component as a main component | in stock |
| P-893509253 | 90 | Main component as a main component | 10.084 g |
| P-1270406786 | 95 | Main component as a main component | in stock |
| P-617046366 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-596933315 | 95 | Main component as a main component | 2 g |
| P-1273262063 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273297450 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864109928 | 95 | Main component as a main component | in stock |
| P-901451982 | 95 | Main component as a main component | by synthesis |
| P-901522899 | 95 | Main component as a main component | by synthesis |
| P-580451060 | 99 | Main component as a main component | in stock |
| P-861492078 | 95 | Main component as a main component | by synthesis |
| P-608497864 | 95 | Main component as a main component | in stock |
| P-870660125 | N/A | Main component as a main component | in stock |
| P-1273109132 | 97 | Main component as a main component | 100 mg |
| P-854718135 | 95 | Main component as a main component | in stock |
| P-871073227 | 95 | Main component as a main component | in stock |
| P-878643684 | 98 | Main component as a main component | in stock |
| P-889878587 | 95 | Main component as a main component | by synthesis |
| P-505618536 | 97 | Main component as a main component | in stock |
| P-892295660 | 95 | Main component as a main component | unavailable |
| P-869161425 | 95 | Main component as a main component | 146 mg |
| P-888656650 | 95 | Main component as a main component | 146 mg |
| P-906801979 | 95 | Main component as a main component | by synthesis |
| P-855066587 | 90 | Main component as a main component | in stock |
| P-1271699236 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 450.486 |
| logP | 2.48178 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 133.97 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 129.3118 |
| Atoms | 59 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 26 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
