Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3979589633-0
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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-4313260384-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3979589633-0.sdf |
| SMILES | MCULE-3979589633-0.smiles |
| Standard InChI | MCULE-3979589633-0.inchi |
| InChIKey | MCULE-3979589633-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851261488 | 95 | As is | by synthesis |
| P-867578859 | 98 | Main component | in stock |
| P-875738052 | N/A | Main component | in stock |
| P-535625331 | 95 | Main component | in stock |
| P-505352123 | 98 | Main component | in stock |
| P-903068120 | 99 | Main component | 20.5 kg |
| P-580240182 | 95 | Main component | by synthesis |
| P-489120620 | 97 | Main component | in stock |
| P-596931090 | 98 | Main component | 25 kg |
| P-494329398 | 95 | Main component | by resynthesis (? - ? days) |
| P-864184908 | 95 | Main component | in stock |
| P-481167259 | 95 | Main component | 108.5 g |
| P-893237954 | 95 | Main component | in stock |
| P-580304302 | 95 | Main component | by resynthesis (? - ? days) |
| P-862011713 | 95 | Main component | 1.6045 kg |
| P-905341059 | 95 | Main component | 1.6045 kg |
| P-870655897 | N/A | Main component | in stock |
| P-590342105 | 90 | Main component | 3.14 g |
| P-505492843 | 95 | Main component | in stock |
| P-502469896 | 95 | Main component | by synthesis |
| P-488550454 | 90 | Main component | in stock |
| P-617982317 | 95 | Main component | 300 mg |
| P-454353137 | 95 | Main component | 100 mg |
| P-454417623 | 95 | Main component | 1000 g |
| P-856043474 | 90 | Main component | unavailable |
| P-31201235 | 90 | Main component | unavailable |
| P-613281456 | 95 | Main component | by synthesis |
| P-588254846 | N/A | Main component | by synthesis |
| P-852450288 | N/A | Main component | in stock |
| P-854691178 | 95 | Main component | in stock |
| P-878648659 | 98 | Main component | in stock |
| P-492284244 | 95 | Main component | 1.36 g |
| P-12900189 | 90 | Main component | 1.36 g |
| P-888883671 | N/A | Main component | in stock |
| P-526109381 | 92 | Main component | in stock |
| P-575519665 | 92 | Main component | 300 mg |
| P-500404677 | 98 | Main component | by synthesis |
| P-885515488 | 95 | Main component | by synthesis |
| P-19156508 | 90 | Main component | in stock |
| P-535646958 | N/A | Main component | in stock |
| P-892276141 | 95 | Main component | by synthesis |
| P-869178757 | 95 | Main component | in stock |
| P-892300611 | 95 | Main component | 2 g |
| P-892352391 | 95 | Main component | 2 g |
| P-502339028 | 90 | Main component | in stock |
| P-22528013 | 90 | Main component | 1000 mg |
| P-906779866 | 99 | Main component | by synthesis |
| P-611481722 | 90 | Main component | in stock |
| P-1408278 | 90 | Main component | 3.27 g |
| P-3224055 | 90 | Main component | 3.27 g |
| P-580088114 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 232.659 |
| logP | 2.3269 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 44.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.2705 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
