Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3257132593-0
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 82 USD | 95 | 35 working days | Get Quote |
| 10 mg | 82 USD | 95 | 35 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.
-
1
MCULE-2352492137-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3257132593-0.sdf |
| SMILES | MCULE-3257132593-0.smiles |
| Standard InChI | MCULE-3257132593-0.inchi |
| InChIKey | MCULE-3257132593-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893140531 | N/A | As is | by synthesis |
| P-892971234 | N/A | As is | by synthesis |
| P-894631875 | 95 | As is | in stock |
| P-605347269 | 95 | As is | in stock |
| P-610906870 | 90 | As is | by synthesis |
| P-851394926 | N/A | As is | by synthesis |
| P-590717681 | 97 | As is | by synthesis |
| P-454400797 | 97 | As is | 1000 mg |
| P-855989534 | 95 | As is | 250 mg |
| P-854903202 | 95 | As is | by synthesis |
| P-611394048 | 90 | As is | in stock |
| P-893779441 | 95 | As is | by synthesis |
| P-852200680 | N/A | Main component | by synthesis |
| P-610906874 | 90 | Main component | by synthesis |
| P-851479864 | N/A | Main component | by synthesis |
| P-489187340 | 97 | Main component | in stock |
| P-590866222 | 95 | Main component | by synthesis |
| P-893331175 | 95 | Main component | by synthesis |
| P-580409937 | 95 | Main component | by resynthesis (? - ? days) |
| P-596547895 | 97 | Main component | 777 mg |
| P-454393889 | 97 | Main component | 1000 mg |
| P-596602960 | 95 | Main component | 100 mg |
| P-22527898 | 90 | Main component | 214 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 191.654 |
| logP | 1.9467 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.7862 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
