Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1845853360
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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 8 USD | 98 | 16 working days | Get Quote |
| 10 mg | 10 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-1845853360.sdf |
| SMILES | MCULE-1845853360.smiles |
| Standard InChI | MCULE-1845853360.inchi |
| InChIKey | MCULE-1845853360.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867633678 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875799089 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595221023 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606855279 | AmBeed | In stock | N/A | As is | in stock |
| P-489180454 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-864155328 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-584629734 | BLD pharm | In-stock building blocks | 98 | As is | 16.744 g |
| P-851284849 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861368122 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579481833 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-856009363 | Key Organics | Biochemicals | 95 | As is | unavailable |
| P-854693373 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584622114 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-617403288 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869177038 | TargetMol | Natural Products | 95 | As is | 462 mg |
| P-611417574 | Toronto Research | In stock | 90 | As is | in stock |
| P-615417533 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 419.515 |
| logP | 4.9068 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 75.55 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 123.6168 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 29 |
| Heteroatoms | 6 |
| 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 |
