Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3732231547
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 14 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-6155731861
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3732231547.sdf |
| SMILES | MCULE-3732231547.smiles |
| Standard InChI | MCULE-3732231547.inchi |
| InChIKey | MCULE-3732231547.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875828217 | N/A | As is | in stock |
| P-1270272450 | N/A | As is | in stock |
| P-851926114 | N/A | As is | in stock |
| P-865926168 | N/A | As is | 2.5 kg |
| P-1273447554 | 95 | As is | by resynthesis (? - ? days) |
| P-896035379 | 95 | As is | by synthesis |
| P-870582836 | 95 | As is | in stock |
| P-905410341 | N/A | As is | 2.01238 kg |
| P-906771180 | N/A | As is | by synthesis |
| P-1271643501 | 90 | As is | in stock |
| P-867536082 | N/A | Main component | in stock |
| P-875691441 | N/A | Main component | in stock |
| P-1275186480 | N/A | Main component | in stock |
| P-872726575 | 98 | Main component | in stock |
| P-903012484 | N/A | Main component | 1.5 kg |
| P-1270365086 | N/A | Main component | in stock |
| P-905025790 | N/A | Main component | in stock |
| P-489113259 | 97 | Main component | in stock |
| P-865902341 | N/A | Main component | 10 kg |
| P-494305502 | 95 | Main component | 90 g |
| P-864146207 | 95 | Main component | in stock |
| P-904994798 | 95 | Main component | 250 g |
| P-893222672 | 95 | Main component | in stock |
| P-868611580 | 95 | Main component | in stock |
| P-901409437 | N/A | Main component | 10 kg |
| P-1275228903 | N/A | Main component | 5.96891 kg |
| P-500417178 | N/A | Main component | in stock |
| P-505493551 | 95 | Main component | in stock |
| P-31256355 | 90 | Main component | unavailable |
| P-580505287 | 95 | Main component | by synthesis |
| P-878643871 | 98 | Main component | in stock |
| P-885545773 | 95 | Main component | by synthesis |
| P-892291024 | 95 | Main component | unavailable |
| P-869126711 | 95 | Main component | 198 mg |
| P-888640025 | 95 | Main component | 198 mg |
| P-906758212 | N/A | Main component | by synthesis |
| P-1271710660 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 691.943 |
| logP | 7.6776 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 95.04 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 120.4785 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 9 |
| Heteroatoms | 11 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
