Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4404184449
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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.
-
1
MCULE-5388812096
- Component type: Main
-
1
MCULE-1368734775
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4404184449.sdf |
| SMILES | MCULE-4404184449.smiles |
| Standard InChI | MCULE-4404184449.inchi |
| InChIKey | MCULE-4404184449.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549126 | 95 | Main component | in stock |
| P-867588395 | 98 | Main component | in stock |
| P-1275171894 | 98 | Main component | in stock |
| P-1275148984 | 95 | Main component | in stock |
| P-893521229 | 90 | Main component | 676.871 g |
| P-1270337598 | 98 | Main component | in stock |
| P-1270307808 | 95 | Main component | in stock |
| P-851932665 | N/A | Main component | in stock |
| P-606880846 | N/A | Main component | in stock |
| P-895093806 | 95 | Main component | 200 g |
| P-596984395 | 98 | Main component | 200 g |
| P-895934791 | 95 | Main component | by resynthesis (? - ? days) |
| P-895929996 | 95 | Main component | by resynthesis (? - ? days) |
| P-864189339 | 95 | Main component | in stock |
| P-3368158 | 90 | Main component | 29 mg |
| P-580304173 | 95 | Main component | by resynthesis (? - ? days) |
| P-889208004 | 98 | Main component | 252.871 g |
| P-855983670 | 97 | Main component | 25 g |
| P-18800169 | 90 | Main component | 10.049 g |
| P-14083794 | 90 | Main component | 69 mg |
| P-888883837 | N/A | Main component | in stock |
| P-885533280 | 95 | Main component | by synthesis |
| P-19781093 | 90 | Main component | in stock |
| P-904100394 | 97 | Main component | 82.5 g |
| P-906779582 | 98 | Main component | by synthesis |
| P-611485267 | 90 | Main component | in stock |
| P-2587588 | 90 | Main component | 182 mg |
| P-1271682404 | 98 | Main component | in stock |
| P-886909439 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 374.641 |
| logP | 4.887 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 58.89 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.5558 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
