Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1561095551
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 | 19 USD | 90 | 14 working days | Get Quote |
| 5 mg | 28 USD | 90 | 14 working days | Get Quote |
| 10 mg | 39 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-1561095551.sdf |
| SMILES | MCULE-1561095551.smiles |
| Standard InChI | MCULE-1561095551.inchi |
| InChIKey | MCULE-1561095551.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867370125 | N/A | As is | by synthesis |
| P-890031695 | N/A | As is | by synthesis |
| P-869300325 | 95 | As is | in stock |
| P-903310430 | 95 | As is | 1000 mg |
| P-899944101 | N/A | As is | by synthesis |
| P-889808992 | 95 | As is | by synthesis |
| P-901897869 | 95 | As is | by synthesis |
| P-893250090 | 95 | As is | by synthesis |
| P-454722081 | 90 | As is | in stock |
| P-861399759 | 95 | As is | by synthesis |
| P-852446413 | N/A | As is | in stock |
| P-854842957 | 95 | As is | by synthesis |
| P-579724437 | 90 | As is | in stock |
| P-888164593 | 90 | As is | in stock |
| P-12953794 | 90 | As is | 340 mg |
| P-617705446 | 95 | As is | 340 mg |
| P-502423805 | 90 | As is | in stock |
| P-893852917 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.684 |
| logP | 2.3568 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 58.2 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.6704 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
