Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9435336592-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-1758921597-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9435336592-0.sdf |
| SMILES | MCULE-9435336592-0.smiles |
| Standard InChI | MCULE-9435336592-0.inchi |
| InChIKey | MCULE-9435336592-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892443816 | 90 | As is | 1000 mg |
| P-867536258 | 98 | Main component | in stock |
| P-875691330 | 98 | Main component | in stock |
| P-1275190160 | 98 | Main component | in stock |
| P-1275159484 | 95 | Main component | in stock |
| P-903012985 | 98 | Main component | 949 g |
| P-905486093 | 97 | Main component | 100 g |
| P-893300460 | 98 | Main component | in stock |
| P-606876762 | N/A | Main component | in stock |
| P-489216546 | 97 | Main component | in stock |
| P-596936329 | 98 | Main component | 949 g |
| P-895933434 | 95 | Main component | by resynthesis (? - ? days) |
| P-864252703 | 95 | Main component | by synthesis |
| P-864184785 | 95 | Main component | in stock |
| P-580733215 | 98 | Main component | 55 g |
| P-4215259 | 90 | Main component | 50 mg |
| P-425216776 | 90 | Main component | in stock |
| P-517095577 | 90 | Main component | in stock |
| P-851245270 | 95 | Main component | by synthesis |
| P-868591371 | 98 | Main component | in stock |
| P-580442730 | 95 | Main component | by resynthesis (? - ? days) |
| P-901369737 | 95 | Main component | 20 g |
| P-905335129 | 95 | Main component | 230 g |
| P-12499384 | 92 | Main component | 300 mg |
| P-524166245 | 98 | Main component | 25 g |
| P-855993031 | 98 | Main component | 100 mg |
| P-1272597288 | 95 | Main component | 200 g |
| P-852521586 | 95 | Main component | by synthesis |
| P-863685268 | 95 | Main component | in stock |
| P-885546569 | 95 | Main component | by synthesis |
| P-23873744 | 90 | Main component | in stock |
| P-12282565 | 90 | Main component | 3.948 g |
| P-596765444 | 98 | Main component | 208.7 g |
| P-888439623 | 94 | Main component | by resynthesis (? - ? days) |
| P-906758161 | 98 | Main component | by synthesis |
| P-611378832 | 90 | Main component | in stock |
| P-1094196 | 90 | Main component | 643 mg |
| P-1271718423 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 318.349 |
| logP | 4.1717 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 111.66 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 83.6813 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
