Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4459364860
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-9619136719
- Component type: Main
-
1
MCULE-7981253226
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4459364860.sdf |
| SMILES | MCULE-4459364860.smiles |
| Standard InChI | MCULE-4459364860.inchi |
| InChIKey | MCULE-4459364860.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893363876 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-610956090 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 71.96 g |
| P-489168921 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-860056727 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-580709537 | BLD pharm | In-stock building blocks | 99 | As is | 7.35 g |
| P-900268330 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-881634186 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851249186 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868608485 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-579478783 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-579614706 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-852482195 | Matrix Scientific | All | N/A | As is | in stock |
| P-896627918 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854721098 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474027445 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275838 | Molnova | Stock | 98 | As is | in stock |
| P-888851888 | PharmaBlock | In stock | N/A | As is | in stock |
| P-589631394 | Selleckchem | Epigenetics | N/A | As is | in stock |
| P-579712107 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-617066364 | Allbio Pharm | In stock | N/A | Main component | in stock |
| P-489198920 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-870132251 | AvaChem Scientific | On demand | 98 | Main component | by synthesis |
| P-591174503 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-871222064 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
| P-881634046 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
| P-851242892 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868611186 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-579618089 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
| P-852482196 | Matrix Scientific | All | N/A | Main component | in stock |
| P-852502656 | Matrix Scientific | All | N/A | Main component | in stock |
| P-896628307 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-854721512 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474027444 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608275462 | Molnova | Stock | 98 | Main component | in stock |
| P-579711249 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-589631405 | Selleckchem | Epigenetics | N/A | Main component | in stock |
| P-873284277 | Shanghai iChemical | In stock | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 504.493 |
| logP | 0.23418 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 221.04 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 128.6689 |
| Atoms | 64 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 28 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
