Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4848568543-0
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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 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.
-
MCULE-6887374894-0
- Component type: Main
-
MCULE-9365990423-0
- Component type: Main
-
MCULE-6362626678-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4848568543-0.sdf |
| SMILES | MCULE-4848568543-0.smiles |
| Standard InChI | MCULE-4848568543-0.inchi |
| InChIKey | MCULE-4848568543-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867643131 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875810111 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869188497 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505400069 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610959480 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6.184 g |
| P-675239989 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-489161217 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619199663 | Angene | Building Blocks in stock | 98 | As is | 5 g |
| P-580195866 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864126046 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-871219079 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851266057 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-872749580 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579480482 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621511 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-505521298 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524444485 | Key Organics | Biochemicals | 97 | As is | 6.892 g |
| P-579617514 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
| P-854714405 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474025902 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276719 | Molnova | Stock | 98 | As is | in stock |
| P-500406780 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888639359 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869125882 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611420564 | Toronto Research | In stock | 90 | As is | in stock |
| P-611417404 | Toronto Research | In stock | 90 | As is | in stock |
| P-851278870 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-868564583 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-596562830 | Key Organics | Building Blocks | 97 | As a main component | 50 mg |
| P-474025903 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-878641729 | Molnova | Stock | 98 | As a main component | in stock |
| P-579712978 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 427.554 |
| logP | 4.9953 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 44.81 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 126.2057 |
| Atoms | 65 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 34 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
