Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1114472860-0
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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-4772338939-0
- Component type: Main
-
4
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1114472860-0.sdf |
| SMILES | MCULE-1114472860-0.smiles |
| Standard InChI | MCULE-1114472860-0.inchi |
| InChIKey | MCULE-1114472860-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489164588 | 97 | As is | in stock |
| P-886646856 | N/A | Main component | in stock |
| P-890165634 | N/A | Main component | in stock |
| P-869357768 | 95 | Main component | in stock |
| P-851470987 | N/A | Main component | by synthesis |
| P-895913414 | 95 | Main component | by resynthesis (? - ? days) |
| P-851293096 | 95 | Main component | by synthesis |
| P-580441254 | 95 | Main component | by resynthesis (? - ? days) |
| P-505517111 | 95 | Main component | in stock |
| P-505535981 | 95 | Main component | in stock |
| P-488553892 | 90 | Main component | in stock |
| P-500158334 | 96 | Main component | in stock |
| P-563480464 | 97 | Main component | 1000 mg |
| P-563567834 | 95 | Main component | 1000 mg |
| P-852556904 | N/A | Main component | in stock |
| P-854776986 | 95 | Main component | by synthesis |
| P-885519354 | 95 | Main component | by synthesis |
| P-502329624 | 90 | Main component | in stock |
| P-611497827 | 90 | Main component | in stock |
| P-611559853 | 90 | Main component | in stock |
| P-854667931 | 95 | Main component | in stock |
| P-875738486 | N/A | Main component as a main component | in stock |
| P-869195482 | 95 | Main component as a main component | in stock |
| P-505395600 | 98 | Main component as a main component | in stock |
| P-903068521 | 97 | Main component as a main component | 125 g |
| P-893598839 | 90 | Main component as a main component | 420.513 g |
| P-606846191 | N/A | Main component as a main component | in stock |
| P-489196398 | 97 | Main component as a main component | in stock |
| P-596931151 | 98 | Main component as a main component | 100 g |
| P-864111188 | 97 | Main component as a main component | in stock |
| P-580733407 | 97 | Main component as a main component | 17.5 g |
| P-901450220 | 95 | Main component as a main component | by synthesis |
| P-851259851 | 95 | Main component as a main component | by synthesis |
| P-868602872 | 98 | Main component as a main component | in stock |
| P-580431885 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580407579 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889432753 | 97 | Main component as a main component | 210.882 g |
| P-870652792 | N/A | Main component as a main component | in stock |
| P-870657470 | N/A | Main component as a main component | in stock |
| P-675320237 | 95 | Main component as a main component | by synthesis |
| P-488549473 | 90 | Main component as a main component | in stock |
| P-24445376 | 95 | Main component as a main component | 300 mg |
| P-500158335 | 96 | Main component as a main component | in stock |
| P-855993110 | 98 | Main component as a main component | 100 mg |
| P-855995490 | 95 | Main component as a main component | 340 mg |
| P-855997797 | 95 | Main component as a main component | 239 mg |
| P-524180315 | 95 | Main component as a main component | 100 g |
| P-855968410 | 95 | Main component as a main component | 100 g |
| P-563567837 | 95 | Main component as a main component | 100 mg |
| P-524167654 | 98 | Main component as a main component | 25 g |
| P-856078202 | 98 | Main component as a main component | 250 g |
| P-31161656 | 90 | Main component as a main component | unavailable |
| P-580472300 | 97 | Main component as a main component | by synthesis |
| P-852450153 | N/A | Main component as a main component | in stock |
| P-854728724 | 95 | Main component as a main component | in stock |
| P-454368692 | 92 | Main component as a main component | in stock |
| P-500410688 | 97 | Main component as a main component | by synthesis |
| P-885543449 | 95 | Main component as a main component | by synthesis |
| P-871063390 | 95 | Main component as a main component | 141.25 g |
| P-502326643 | 90 | Main component as a main component | in stock |
| P-906758457 | 98 | Main component as a main component | by synthesis |
| P-906758870 | 98 | Main component as a main component | by synthesis |
| P-611398854 | 90 | Main component as a main component | in stock |
| P-617769056 | 90 | Main component as a main component | 124 mg |
| P-893943755 | 95 | Main component as a main component | in stock |
| P-886938594 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 272.037 |
| logP | 3.8855 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.9134 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
