Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9580834961
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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 50 USD | 95 | 7 working days | Get Quote |
| 10 mg | 56 USD | 98 | 16 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-4243869631
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9580834961.sdf |
| SMILES | MCULE-9580834961.smiles |
| Standard InChI | MCULE-9580834961.inchi |
| InChIKey | MCULE-9580834961.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867608542 | N/A | As is | in stock |
| P-875767470 | N/A | As is | in stock |
| P-874651598 | N/A | As is | by resynthesis (? - ? days) |
| P-893584268 | 90 | As is | 2.4 g |
| P-895096037 | N/A | As is | 200 mg |
| P-1273264461 | 95 | As is | by resynthesis (? - ? days) |
| P-869398321 | 95 | As is | by synthesis |
| P-871212347 | 95 | As is | by synthesis |
| P-861379950 | 95 | As is | by synthesis |
| P-868658626 | 95 | As is | in stock |
| P-855964030 | 97 | As is | 50 mg |
| P-854719558 | 95 | As is | in stock |
| P-871073990 | 95 | As is | in stock |
| P-878642561 | 98 | As is | in stock |
| P-892289457 | 95 | As is | unavailable |
| P-869120441 | 95 | As is | 151 mg |
| P-888635239 | 95 | As is | 151 mg |
| P-596714356 | 90 | As is | 1 mg |
| P-855052062 | 90 | As is | in stock |
| P-868538551 | 99 | As is | in stock |
| P-886597550 | 98 | Main component | in stock |
| P-890154187 | 98 | Main component | in stock |
| P-903129893 | 95 | Main component | 25 g |
| P-905494256 | 95 | Main component | 100 g |
| P-893535483 | 90 | Main component | 126.75 g |
| P-892189783 | 95 | Main component | 25 g |
| P-1274817859 | 95 | Main component | by resynthesis (? - ? days) |
| P-869392430 | 95 | Main component | in stock |
| P-868543578 | 98 | Main component | in stock |
| P-901458761 | 95 | Main component | by synthesis |
| P-1274907321 | 95 | Main component | by synthesis |
| P-1275085919 | 95 | Main component | 100 mg |
| P-870515896 | 95 | Main component | 22 g |
| P-906794096 | 95 | Main component | by synthesis |
| P-854673364 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 578.870 |
| logP | 4.9687 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 48.91 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 150.1145 |
| Atoms | 61 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
