Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4577583875-0
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 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-6112903352-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4577583875-0.sdf |
| SMILES | MCULE-4577583875-0.smiles |
| Standard InChI | MCULE-4577583875-0.inchi |
| InChIKey | MCULE-4577583875-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904557188 | 95 | As is | in stock |
| P-851861539 | N/A | As is | by synthesis |
| P-591126561 | 97 | As is | by synthesis |
| P-895553980 | 95 | As is | by synthesis |
| P-867661722 | 95 | Main component | in stock |
| P-875830722 | N/A | Main component | in stock |
| P-881670761 | 95 | Main component | in stock |
| P-505400995 | 98 | Main component | in stock |
| P-903206088 | 97 | Main component | 100 g |
| P-606839466 | N/A | Main component | in stock |
| P-489239893 | 97 | Main component | in stock |
| P-596972890 | 97 | Main component | 150 g |
| P-866724274 | 95 | Main component | by resynthesis (? - ? days) |
| P-864103583 | 95 | Main component | in stock |
| P-584628752 | 95 | Main component | 304.807 g |
| P-893227055 | 95 | Main component | in stock |
| P-868605389 | 98 | Main component | in stock |
| P-905343322 | 98 | Main component | 55.9 g |
| P-862020851 | 98 | Main component | 55.9 g |
| P-855996283 | 97 | Main component | 100 mg |
| P-524186229 | 97 | Main component | 100 g |
| P-579625236 | 98 | Main component | 500 g |
| P-852488794 | N/A | Main component | in stock |
| P-1263155786 | 95 | Main component | by synthesis |
| P-854718810 | 95 | Main component | in stock |
| P-896085048 | N/A | Main component | 14.879 g |
| P-892260805 | 95 | Main component | by synthesis |
| P-892297222 | 95 | Main component | unavailable |
| P-892342288 | 95 | Main component | 4.004 g |
| P-502390990 | 90 | Main component | in stock |
| P-855354786 | 90 | Main component | in stock |
| P-575296557 | 95 | Main component | in stock |
| P-615456632 | 95 | Main component | in stock |
| P-867661474 | 97 | Main component as a main component | in stock |
| P-875830412 | N/A | Main component as a main component | in stock |
| P-597025600 | 98 | Main component as a main component | in stock |
| P-869183854 | 97 | Main component as a main component | in stock |
| P-505400989 | 99 | Main component as a main component | in stock |
| P-903205502 | 97 | Main component as a main component | 500 g |
| P-580246589 | 95 | Main component as a main component | by synthesis |
| P-606868962 | N/A | Main component as a main component | in stock |
| P-489111526 | 97 | Main component as a main component | in stock |
| P-596933790 | 97 | Main component as a main component | 150 g |
| P-585298764 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864108348 | 95 | Main component as a main component | in stock |
| P-580711583 | 97 | Main component as a main component | 6.25 g |
| P-868606632 | 98 | Main component as a main component | in stock |
| P-862021415 | 97 | Main component as a main component | in stock |
| P-855993673 | 99 | Main component as a main component | 100 mg |
| P-524169773 | 99 | Main component as a main component | 25 g |
| P-579626894 | 98 | Main component as a main component | 125 g |
| P-852489141 | N/A | Main component as a main component | in stock |
| P-1264390847 | 95 | Main component as a main component | by synthesis |
| P-889873955 | 95 | Main component as a main component | by synthesis |
| P-906899737 | 98 | Main component as a main component | in stock |
| P-611468797 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 235.260 |
| logP | 1.8862 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 106.45 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.8936 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| 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 |
