Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9514541536
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-9514541536.sdf |
| SMILES | MCULE-9514541536.smiles |
| Standard InChI | MCULE-9514541536.inchi |
| InChIKey | MCULE-9514541536.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582315 | 97 | As is | in stock |
| P-875740960 | N/A | As is | in stock |
| P-595216826 | 98 | As is | in stock |
| P-903071024 | 98 | As is | 10 g |
| P-905484555 | 97 | As is | 10 g |
| P-893533837 | 90 | As is | 72.3 g |
| P-606892622 | N/A | As is | in stock |
| P-489146076 | 97 | As is | in stock |
| P-596976136 | 97 | As is | 30 g |
| P-589663657 | 95 | As is | by resynthesis (? - ? days) |
| P-864098931 | 97 | As is | in stock |
| P-590636962 | 97 | As is | 5.35 g |
| P-901535319 | 95 | As is | by synthesis |
| P-619931146 | 90 | As is | by synthesis |
| P-889032591 | 98 | As is | in stock |
| P-580393070 | N/A | As is | by resynthesis (? - ? days) |
| P-862095116 | 97 | As is | 9.109 g |
| P-890218762 | 90 | As is | in stock |
| P-590341191 | 90 | As is | 1000 mg |
| P-502547630 | 95 | As is | by synthesis |
| P-563379645 | 97 | As is | 5 g |
| P-580474957 | N/A | As is | by synthesis |
| P-854756452 | 95 | As is | in stock |
| P-888884299 | N/A | As is | in stock |
| P-889862691 | 95 | As is | by synthesis |
| P-18920608 | 90 | As is | in stock |
| P-502371701 | 90 | As is | in stock |
| P-611459286 | 90 | As is | in stock |
| P-3243167 | 90 | As is | 116 mg |
| P-409534 | 90 | As is | 116 mg |
| P-615396750 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.173 |
| logP | 1.6034 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.1515 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
