Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9062881663
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 106 USD | 95 | 22 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-4351779901
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9062881663.sdf |
| SMILES | MCULE-9062881663.smiles |
| Standard InChI | MCULE-9062881663.inchi |
| InChIKey | MCULE-9062881663.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623692 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875786252 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894667961 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610980172 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3 g |
| P-851710903 | AmBeed | On request | N/A | As is | by synthesis |
| P-873294092 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
| P-494463231 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889771367 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-591046816 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861550971 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-454401881 | Key Organics | Building Blocks | 95 | As is | 5.141 g |
| P-18691052 | Key Organics | Screening Compounds and Fragments | 95 | As is | 5.141 g |
| P-579675582 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-852502209 | Matrix Scientific | All | N/A | As is | in stock |
| P-854786703 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-520170755 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-424744963 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5 mg |
| P-886939257 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-872820475 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
| P-899952096 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-889474776 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-855958428 | Key Organics | Building Blocks | 95 | As a main component | 100 mg |
| P-895695051 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.186 |
| logP | 2.76 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.1842 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
