Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5110881576-0
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 | 20 USD | 95 | 10 working days | Get Quote |
| 5 mg | 20 USD | 95 | 10 working days | Get Quote |
| 10 mg | 20 USD | 95 | 10 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-4531463563-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5110881576-0.sdf |
| SMILES | MCULE-5110881576-0.smiles |
| Standard InChI | MCULE-5110881576-0.inchi |
| InChIKey | MCULE-5110881576-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867614909 | 95 | As is | in stock |
| P-875775635 | N/A | As is | in stock |
| P-590356815 | 95 | As is | in stock |
| P-893509902 | 90 | As is | 17 g |
| P-851504368 | N/A | As is | by synthesis |
| P-905460343 | 95 | As is | in stock |
| P-590778508 | 95 | As is | by synthesis |
| P-492254504 | 95 | As is | in stock |
| P-872448465 | 90 | As is | 50 mg |
| P-868636699 | 95 | As is | in stock |
| P-855947801 | 95 | As is | 5 g |
| P-852417555 | N/A | As is | in stock |
| P-854925780 | 95 | As is | by synthesis |
| P-675096973 | 90 | As is | in stock |
| P-502385509 | 90 | As is | in stock |
| P-611442160 | 90 | As is | in stock |
| P-893672433 | 95 | As is | by synthesis |
| P-875817218 | N/A | Main component | in stock |
| P-615715253 | 95 | Main component | in stock |
| P-903180737 | 95 | Main component | 750 mg |
| P-893518694 | 90 | Main component | 1000 mg |
| P-851935401 | N/A | Main component | in stock |
| P-596996864 | 95 | Main component | 500 mg |
| P-864181377 | 95 | Main component | in stock |
| P-504682301 | 85 | Main component | 5 mg |
| P-454696630 | 90 | Main component | in stock |
| P-620801387 | 95 | Main component | 10 g |
| P-19940164 | 90 | Main component | in stock |
| P-861346644 | 95 | Main component | by synthesis |
| P-580756143 | 90 | Main component | by synthesis |
| P-596567701 | 95 | Main component | 250 mg |
| P-852398249 | N/A | Main component | in stock |
| P-854921719 | 95 | Main component | by synthesis |
| P-873218743 | 90 | Main component | in stock |
| P-888577339 | 94 | Main component | by resynthesis (? - ? days) |
| P-611579774 | 90 | Main component | in stock |
| P-615456175 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 215.718 |
| logP | 3.9974 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.9934 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
