Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4105322469
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 22 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-4105322469.sdf |
| SMILES | MCULE-4105322469.smiles |
| Standard InChI | MCULE-4105322469.inchi |
| InChIKey | MCULE-4105322469.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544582 | 98 | As is | in stock |
| P-875701760 | N/A | As is | in stock |
| P-505395325 | 95 | As is | in stock |
| P-851930778 | N/A | As is | in stock |
| P-888308025 | N/A | As is | in stock |
| P-865904388 | 95 | As is | 2 kg |
| P-1263769635 | 90 | As is | by synthesis |
| P-889785824 | 95 | As is | in stock |
| P-901488943 | 95 | As is | by synthesis |
| P-893234496 | 95 | As is | in stock |
| P-488543163 | 90 | As is | in stock |
| P-14004815 | 95 | As is | 300 mg |
| P-454363491 | 92 | As is | in stock |
| P-892277050 | 95 | As is | by synthesis |
| P-869179040 | 95 | As is | in stock |
| P-892301059 | 95 | As is | 1.009 g |
| P-892353074 | 95 | As is | 1.009 g |
| P-611514403 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.249 |
| logP | 2.6477 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.27 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 18 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
