Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4459584385
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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-7228754802
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4459584385.sdf |
| SMILES | MCULE-4459584385.smiles |
| Standard InChI | MCULE-4459584385.inchi |
| InChIKey | MCULE-4459584385.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606605 | 95 | As is | in stock |
| P-875765141 | N/A | As is | in stock |
| P-869194413 | 95 | As is | in stock |
| P-505353081 | 98 | As is | in stock |
| P-505389482 | 98 | As is | in stock |
| P-903102260 | 99 | As is | 300 g |
| P-489160771 | 97 | As is | in stock |
| P-596961143 | 99 | As is | 300 g |
| P-872724684 | 98 | As is | in stock |
| P-864177221 | 99 | As is | in stock |
| P-901427443 | 95 | As is | by synthesis |
| P-851268417 | 95 | As is | by synthesis |
| P-580450331 | 99 | As is | in stock |
| P-868592626 | 95 | As is | in stock |
| P-870652657 | N/A | As is | in stock |
| P-505516926 | 95 | As is | in stock |
| P-524442111 | 97 | As is | 490 mg |
| P-579615116 | 99 | As is | 1000 g |
| P-856015955 | 90 | As is | 1000 mg |
| P-896627399 | 95 | As is | by synthesis |
| P-854711933 | 95 | As is | in stock |
| P-474024834 | 95 | As is | in stock |
| P-608272933 | 98 | As is | in stock |
| P-500392509 | 98 | As is | by synthesis |
| P-1263958684 | 90 | As is | in stock |
| P-885540417 | 95 | As is | by synthesis |
| P-579711473 | N/A | As is | in stock |
| P-869108187 | 95 | As is | by synthesis |
| P-892286876 | 95 | As is | unavailable |
| P-888627226 | 95 | As is | 3.707 g |
| P-502365086 | 90 | As is | in stock |
| P-611429772 | 90 | As is | in stock |
| P-666979336 | 95 | As is | in stock |
| P-867666881 | 98 | Main component | in stock |
| P-875834410 | N/A | Main component | in stock |
| P-597025716 | 95 | Main component | in stock |
| P-613855013 | 95 | Main component | in stock |
| P-903211110 | 97 | Main component | 200 g |
| P-893584759 | 90 | Main component | 204.099 g |
| P-489111748 | 97 | Main component | in stock |
| P-596973800 | 97 | Main component | 200 g |
| P-872696277 | 95 | Main component | in stock |
| P-901460783 | 95 | Main component | by synthesis |
| P-505575165 | 98 | Main component | in stock |
| P-868597751 | 98 | Main component | in stock |
| P-905319068 | 95 | Main component | 2 g |
| P-505498132 | 95 | Main component | in stock |
| P-454344383 | 90 | Main component | 829 mg |
| P-579621719 | 95 | Main component | 250 g |
| P-896629573 | 95 | Main component | by synthesis |
| P-854713796 | 95 | Main component | in stock |
| P-649194455 | 90 | Main component | by synthesis |
| P-500400560 | 98 | Main component | by synthesis |
| P-889879656 | 95 | Main component | by synthesis |
| P-617402853 | N/A | Main component | in stock |
| P-869127210 | 95 | Main component | by synthesis |
| P-892291390 | 95 | Main component | unavailable |
| P-888640374 | 95 | Main component | 2.496 g |
| P-611429771 | 90 | Main component | in stock |
| P-912235009 | 90 | Main component | by synthesis |
| P-575310411 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 282.807 |
| logP | 3.5391 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 86.3837 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
