Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5108207635
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 | 17 USD | 98 | 15 working days | Get Quote |
| 5 mg | 17 USD | 98 | 15 working days | Get Quote |
| 10 mg | 17 USD | 98 | 15 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-5108207635.sdf |
| SMILES | MCULE-5108207635.smiles |
| Standard InChI | MCULE-5108207635.inchi |
| InChIKey | MCULE-5108207635.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604472 | 98 | As is | in stock |
| P-875762097 | N/A | As is | in stock |
| P-590418690 | 98 | As is | in stock |
| P-903098682 | 98 | As is | 3 g |
| P-606863676 | N/A | As is | in stock |
| P-489226386 | 97 | As is | in stock |
| P-596960065 | 98 | As is | 5 g |
| P-494337660 | 95 | As is | by resynthesis (? - ? days) |
| P-864170373 | 98 | As is | in stock |
| P-580700007 | 98 | As is | 1.87 g |
| P-868598047 | 98 | As is | in stock |
| P-524195742 | 98 | As is | 5 g |
| P-31154742 | 90 | As is | 1000 mg |
| P-854800897 | 95 | As is | by synthesis |
| P-889867839 | 95 | As is | by synthesis |
| P-596759008 | 98 | As is | 1.35 g |
| P-615453650 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.658 |
| logP | 2.4028 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 58.2 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.0774 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
