Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4173371616-0
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 | 69 USD | 97 | 20 working days | Get Quote |
| 5 mg | 69 USD | 97 | 20 working days | Get Quote |
| 10 mg | 69 USD | 97 | 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.
-
1
MCULE-9746290578-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4173371616-0.sdf |
| SMILES | MCULE-4173371616-0.smiles |
| Standard InChI | MCULE-4173371616-0.inchi |
| InChIKey | MCULE-4173371616-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892490519 | 90 | As is | 1000 mg |
| P-867593567 | 97 | Main component | in stock |
| P-875752418 | N/A | Main component | in stock |
| P-894652152 | 95 | Main component | in stock |
| P-903085032 | 97 | Main component | 5 g |
| P-610980100 | 90 | Main component | 109.746 g |
| P-901662813 | N/A | Main component | in stock |
| P-873291506 | 97 | Main component | 3 g |
| P-596503827 | 90 | Main component | unavailable |
| P-889776837 | 95 | Main component | in stock |
| P-901923454 | 98 | Main component | 4.48 g |
| P-851327462 | 95 | Main component | by synthesis |
| P-887215723 | 95 | Main component | by synthesis |
| P-580386494 | N/A | Main component | by resynthesis (? - ? days) |
| P-905358046 | 98 | Main component | 2 g |
| P-502536487 | 95 | Main component | by synthesis |
| P-895225717 | 95 | Main component | in stock |
| P-502380218 | 90 | Main component | in stock |
| P-906890023 | 97 | Main component | by synthesis |
| P-588725988 | N/A | Main component | by synthesis |
| P-886925626 | 95 | Main component | by synthesis |
| P-886898411 | 95 | Main component | in stock |
| P-867635875 | 95 | Main component as a main component | in stock |
| P-875800832 | N/A | Main component as a main component | in stock |
| P-590395702 | 95 | Main component as a main component | in stock |
| P-903155096 | 98 | Main component as a main component | 15 g |
| P-904334458 | 90 | Main component as a main component | 50 g |
| P-900259108 | N/A | Main component as a main component | in stock |
| P-900247470 | 98 | Main component as a main component | 50 g |
| P-901335145 | 95 | Main component as a main component | in stock |
| P-901922781 | 98 | Main component as a main component | 26.05 g |
| P-616226002 | 95 | Main component as a main component | in stock |
| P-4144916 | 90 | Main component as a main component | 100 mg |
| P-851327450 | 95 | Main component as a main component | by synthesis |
| P-861384534 | 95 | Main component as a main component | by synthesis |
| P-905315316 | 95 | Main component as a main component | in stock |
| P-855948813 | 95 | Main component as a main component | 5 g |
| P-579661295 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-852385083 | N/A | Main component as a main component | in stock |
| P-904060271 | 95 | Main component as a main component | by synthesis |
| P-903662230 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 230.129 |
| logP | 2.4889 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.9688 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
