Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5014608316
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 | 84 USD | 95 | 37 working days | Get Quote |
| 5 mg | 84 USD | 95 | 37 working days | Get Quote |
| 10 mg | 84 USD | 95 | 37 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-1783490658
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5014608316.sdf |
| SMILES | MCULE-5014608316.smiles |
| Standard InChI | MCULE-5014608316.inchi |
| InChIKey | MCULE-5014608316.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886671240 | 95 | As is | in stock |
| P-889973712 | N/A | As is | by synthesis |
| P-894644244 | 95 | As is | in stock |
| P-903237163 | 97 | As is | 5 g |
| P-610970757 | 90 | As is | 27.5 g |
| P-851513930 | N/A | As is | by synthesis |
| P-873298433 | 97 | As is | 5 g |
| P-585295301 | 95 | As is | by resynthesis (? - ? days) |
| P-889774199 | 97 | As is | in stock |
| P-590784347 | 95 | As is | by synthesis |
| P-901486873 | 95 | As is | by synthesis |
| P-617648456 | 90 | As is | in stock |
| P-861521934 | 95 | As is | by synthesis |
| P-855938563 | 97 | As is | 5 g |
| P-852422343 | N/A | As is | in stock |
| P-854910572 | 95 | As is | by synthesis |
| P-906863644 | 98 | As is | by synthesis |
| P-886899445 | 95 | As is | in stock |
| P-852088514 | 95 | Main component | by synthesis |
| P-890152487 | N/A | Main component | in stock |
| P-613854609 | 95 | Main component | in stock |
| P-851772829 | N/A | Main component | by synthesis |
| P-904977050 | 95 | Main component | by synthesis |
| P-868585900 | 95 | Main component | in stock |
| P-502551334 | 95 | Main component | by synthesis |
| P-1263298485 | 96 | Main component | in stock |
| P-524174699 | 95 | Main component | unavailable |
| P-613277118 | 95 | Main component | by synthesis |
| P-852559038 | N/A | Main component | in stock |
| P-895379725 | 95 | Main component | by synthesis |
| P-611475233 | 90 | Main component | in stock |
| P-867418565 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 164.632 |
| logP | 1.0061 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.5254 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
