Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1215442450
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 | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 USD | 98 | 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-1215442450.sdf |
| SMILES | MCULE-1215442450.smiles |
| Standard InChI | MCULE-1215442450.inchi |
| InChIKey | MCULE-1215442450.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901259236 | N/A | As is | in stock |
| P-595216819 | 95 | As is | in stock |
| P-903010404 | 98 | As is | 10 g |
| P-893549519 | 90 | As is | 37.131 g |
| P-865902155 | 98 | As is | 10 g |
| P-895941469 | 95 | As is | by resynthesis (? - ? days) |
| P-864209289 | 95 | As is | in stock |
| P-590814794 | 95 | As is | by synthesis |
| P-454733566 | 90 | As is | in stock |
| P-436473461 | 95 | As is | 8 g |
| P-34884491 | 90 | As is | in stock |
| P-868617750 | 95 | As is | in stock |
| P-579719102 | 95 | As is | in stock |
| P-862070056 | N/A | As is | 18.9 g |
| P-596586580 | 90 | As is | 5 g |
| P-580502696 | N/A | As is | by synthesis |
| P-852533370 | N/A | As is | in stock |
| P-854756693 | 95 | As is | in stock |
| P-888880040 | N/A | As is | in stock |
| P-885522907 | 95 | As is | by synthesis |
| P-19648059 | 90 | As is | in stock |
| P-502374470 | 90 | As is | in stock |
| P-22453149 | 90 | As is | 107 mg |
| P-906784558 | 97 | As is | by synthesis |
| P-611374825 | 90 | As is | in stock |
| P-3219366 | 90 | As is | 1.944 g |
| P-2253228 | 90 | As is | 1.944 g |
| P-868526719 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.314 |
| logP | 3.8312 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 94.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 70.1998 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
