Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8581562842
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1059419881
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8581562842.sdf |
| SMILES | MCULE-8581562842.smiles |
| Standard InChI | MCULE-8581562842.inchi |
| InChIKey | MCULE-8581562842.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867669540 | 95 | As is | in stock |
| P-875842181 | N/A | As is | in stock |
| P-894673648 | 95 | As is | in stock |
| P-903214690 | 95 | As is | 500 mg |
| P-893580892 | 90 | As is | 76.764 g |
| P-851633540 | N/A | As is | by synthesis |
| P-895940818 | 95 | As is | by resynthesis (? - ? days) |
| P-905463314 | 95 | As is | in stock |
| P-611052293 | 95 | As is | by synthesis |
| P-901475096 | 95 | As is | by synthesis |
| P-492247088 | 95 | As is | in stock |
| P-3413120 | 90 | As is | 5 mg |
| P-619308672 | 90 | As is | 27 mg |
| P-617323489 | 90 | As is | in stock |
| P-861557317 | 95 | As is | by synthesis |
| P-34702982 | 90 | As is | by synthesis |
| P-862057164 | 95 | As is | 36.614 g |
| P-905350092 | 95 | As is | 100 mg |
| P-855949551 | 95 | As is | 5 g |
| P-872527381 | 95 | As is | in stock |
| P-675097810 | 90 | As is | in stock |
| P-33479522 | 90 | As is | in stock |
| P-906811201 | 97 | As is | by synthesis |
| P-611594419 | 90 | As is | in stock |
| P-893667155 | 95 | As is | by synthesis |
| P-612943136 | 95 | Main component | in stock |
| P-903098265 | 95 | Main component | 5 g |
| P-851717286 | N/A | Main component | by synthesis |
| P-596503758 | 90 | Main component | 1000 mg |
| P-869992019 | 90 | Main component | 1000 mg |
| P-889802014 | 95 | Main component | by synthesis |
| P-454705313 | 90 | Main component | in stock |
| P-596586951 | 90 | Main component | 5 g |
| P-852403011 | N/A | Main component | in stock |
| P-885516890 | 95 | Main component | by synthesis |
| P-502334161 | 90 | Main component | in stock |
| P-611572609 | 90 | Main component | in stock |
| P-1403033 | 90 | Main component | 2.319 g |
| P-3223926 | 90 | Main component | 2.319 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | 3.1432 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.3454 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
