Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2256069116-0
Structure
Show compound
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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 41 USD | 98 | 20 working days | Get Quote |
| 10 mg | 69 USD | 98 | 20 working days | Get Quote |
- 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-2256069116-0.sdf |
| SMILES | MCULE-2256069116-0.smiles |
| Standard InChI | MCULE-2256069116-0.inchi |
| InChIKey | MCULE-2256069116-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678394 | 98 | As is | in stock |
| P-875855564 | 98 | As is | in stock |
| P-1275159851 | 95 | As is | in stock |
| P-1264449188 | 98 | As is | in stock |
| P-903298504 | 98 | As is | 50 mg |
| P-893547680 | 90 | As is | 250 mg |
| P-875894924 | 95 | As is | in stock |
| P-606866641 | N/A | As is | in stock |
| P-865931764 | 98 | As is | 50 mg |
| P-1273264853 | 95 | As is | by resynthesis (? - ? days) |
| P-864191342 | 95 | As is | in stock |
| P-1263653034 | 95 | As is | in stock |
| P-861378800 | 95 | As is | by synthesis |
| P-862146035 | 98 | As is | 50 mg |
| P-870660877 | N/A | As is | in stock |
| P-855926650 | 97 | As is | 100 mg |
| P-873389226 | N/A | As is | by synthesis |
| P-863719503 | 95 | As is | in stock |
| P-878642954 | 98 | As is | in stock |
| P-889863928 | 95 | As is | by synthesis |
| P-892299940 | 95 | As is | unavailable |
| P-869163806 | 95 | As is | 48 mg |
| P-888659113 | 95 | As is | 48 mg |
| P-611519022 | 90 | As is | in stock |
| P-854659608 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.029 |
| logP | 3.0998 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.504 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
