Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5514331998
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 | 22 USD | 98 | 16 working days | Get Quote |
| 5 mg | 22 USD | 98 | 16 working days | Get Quote |
| 10 mg | 22 USD | 98 | 16 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-3443472025
- Component type: Main
-
1
MCULE-7981253226
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5514331998.sdf |
| SMILES | MCULE-5514331998.smiles |
| Standard InChI | MCULE-5514331998.inchi |
| InChIKey | MCULE-5514331998.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634524 | N/A | As is | in stock |
| P-875799572 | N/A | As is | in stock |
| P-595214836 | 95 | As is | in stock |
| P-610984190 | 90 | As is | 39.178 g |
| P-580193784 | 98 | As is | in stock |
| P-864318544 | 95 | As is | by synthesis |
| P-901430640 | 95 | As is | by synthesis |
| P-855926946 | 97 | As is | 5 g |
| P-896628549 | 95 | As is | by synthesis |
| P-854715577 | 95 | As is | in stock |
| P-608275755 | 98 | As is | in stock |
| P-869107543 | 95 | As is | by synthesis |
| P-892286151 | 95 | As is | 1.003 g |
| P-888626578 | 95 | As is | 1.003 g |
| P-893109249 | N/A | Main component | by synthesis |
| P-889868213 | 95 | Main component | by synthesis |
| P-424944963 | 90 | Main component | in stock |
| P-855367317 | 90 | Main component | in stock |
| P-852043595 | 90 | Main component | 67 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 527.603 |
| logP | 2.3975 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 18 |
| PSA | 170.9 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 136.5192 |
| Atoms | 78 |
| Rings | 1 |
| Heavy atoms | 37 |
| Hydrogen atoms | 41 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
