Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5220943617-0
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 | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 11 USD | 98 | 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-3770710407-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5220943617-0.sdf |
| SMILES | MCULE-5220943617-0.smiles |
| Standard InChI | MCULE-5220943617-0.inchi |
| InChIKey | MCULE-5220943617-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502580632 | 95 | As is | by synthesis |
| P-867551553 | 98 | Main component | in stock |
| P-875709288 | 96 | Main component | in stock |
| P-1275167413 | 98 | Main component | in stock |
| P-903035606 | 95 | Main component | 25 g |
| P-893557785 | 90 | Main component | 92.3 g |
| P-1270324397 | 95 | Main component | in stock |
| P-606872280 | N/A | Main component | in stock |
| P-489237197 | 97 | Main component | in stock |
| P-596941733 | 96 | Main component | 10 g |
| P-895933460 | 95 | Main component | by resynthesis (? - ? days) |
| P-864174344 | 95 | Main component | in stock |
| P-481169422 | 95 | Main component | 2.75 g |
| P-907568969 | 95 | Main component | 7.65 g |
| P-887073612 | 98 | Main component | in stock |
| P-905335765 | 97 | Main component | 25.3 g |
| P-861980542 | 97 | Main component | 66.367 g |
| P-893294291 | 90 | Main component | 125 mg |
| P-454333444 | 90 | Main component | 125 mg |
| P-1272583092 | 95 | Main component | 10 g |
| P-852450999 | 95 | Main component | by synthesis |
| P-1272494045 | 95 | Main component | in stock |
| P-888896081 | N/A | Main component | in stock |
| P-904090872 | 95 | Main component | 30.2 g |
| P-502360940 | 90 | Main component | in stock |
| P-855312337 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 273.112 |
| logP | 3.4458 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.3573 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
