Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2867294292-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
1
MCULE-9106771725-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2867294292-0.sdf |
| SMILES | MCULE-2867294292-0.smiles |
| Standard InChI | MCULE-2867294292-0.inchi |
| InChIKey | MCULE-2867294292-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867425971 | 95 | As is | by synthesis |
| P-1265073193 | 95 | As is | by synthesis |
| P-904619782 | 95 | As is | by resynthesis (? - ? days) |
| P-893469925 | 90 | As is | 1.694 g |
| P-851473206 | N/A | As is | by synthesis |
| P-591169740 | 95 | As is | by synthesis |
| P-1267084526 | 95 | As is | 1.5 g |
| P-468054471 | 95 | As is | 190 mg |
| P-601064402 | 90 | As is | 190 mg |
| P-852509125 | 95 | As is | by synthesis |
| P-895260592 | 95 | As is | by synthesis |
| P-855252174 | 90 | As is | in stock |
| P-905448047 | 95 | Main component | by synthesis |
| P-874548856 | 90 | Main component | 47 mg |
| P-675064131 | 95 | Main component | in stock |
| P-492239788 | 95 | Main component | in stock |
| P-488554336 | 90 | Main component | in stock |
| P-24469252 | 92 | Main component | 300 mg |
| P-596596789 | 90 | Main component | 500 mg |
| P-864032979 | 95 | Main component | by synthesis |
| P-424131064 | 90 | Main component | 1000 mg |
| P-454374883 | 92 | Main component | in stock |
| P-445280868 | 92 | Main component | 300 mg |
| P-885530355 | 95 | Main component | by synthesis |
| P-605215016 | 90 | Main component | in stock |
| P-35134518 | 90 | Main component | 110 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 329.331 |
| logP | 1.9384 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 177.98 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 76.957 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
