Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3051918013-0
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 | 37 USD | 95 | 14 working days | Get Quote |
| 5 mg | 37 USD | 95 | 14 working days | Get Quote |
| 10 mg | 37 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-5276406287-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3051918013-0.sdf |
| SMILES | MCULE-3051918013-0.smiles |
| Standard InChI | MCULE-3051918013-0.inchi |
| InChIKey | MCULE-3051918013-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890144834 | N/A | As is | in stock |
| P-615722075 | 95 | As is | in stock |
| P-903067631 | 95 | As is | 25 g |
| P-905480620 | 95 | As is | 10 g |
| P-893537001 | 90 | As is | 82.7 g |
| P-851660717 | N/A | As is | by synthesis |
| P-489235443 | 97 | As is | in stock |
| P-619168033 | 95 | As is | 25 g |
| P-892495311 | 90 | As is | 1000 mg |
| P-864112292 | 95 | As is | in stock |
| P-590864428 | 95 | As is | by synthesis |
| P-674290568 | 90 | As is | in stock |
| P-619320364 | 90 | As is | 42 mg |
| P-584597729 | 95 | As is | in stock |
| P-617323295 | 90 | As is | in stock |
| P-868648083 | 95 | As is | in stock |
| P-34728720 | 90 | As is | by synthesis |
| P-580306578 | 95 | As is | by resynthesis (? - ? days) |
| P-563392717 | 95 | As is | 25 g |
| P-852395557 | N/A | As is | in stock |
| P-854921679 | 95 | As is | by synthesis |
| P-675098604 | 90 | As is | in stock |
| P-873214644 | 90 | As is | in stock |
| P-615394247 | 95 | As is | in stock |
| P-867620732 | 95 | Main component | in stock |
| P-875783004 | N/A | Main component | in stock |
| P-903129860 | 98 | Main component | 20 g |
| P-893578358 | 90 | Main component | 65.85 g |
| P-851397308 | N/A | Main component | by synthesis |
| P-865917442 | 98 | Main component | 20 g |
| P-895942420 | 95 | Main component | by resynthesis (? - ? days) |
| P-596484778 | 90 | Main component | unavailable |
| P-869385735 | 95 | Main component | in stock |
| P-590725139 | 95 | Main component | by synthesis |
| P-861339922 | 95 | Main component | by synthesis |
| P-580297017 | 95 | Main component | by resynthesis (? - ? days) |
| P-905416697 | 97 | Main component | 27.35 g |
| P-852387572 | N/A | Main component | in stock |
| P-865619886 | 95 | Main component | in stock |
| P-888876556 | N/A | Main component | in stock |
| P-896076340 | N/A | Main component | 4.871 g |
| P-611588800 | 90 | Main component | in stock |
| P-1916231 | 90 | Main component | 246 mg |
| P-868532608 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 228.699 |
| logP | 3.4811 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 87.38 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.9424 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
