Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8037874224-1
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 | 14 USD | N/A | 9 working days | Get Quote |
| 5 mg | 14 USD | N/A | 9 working days | Get Quote |
| 10 mg | 14 USD | N/A | 9 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-8369985137-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8037874224-1.sdf |
| SMILES | MCULE-8037874224-1.smiles |
| Standard InChI | MCULE-8037874224-1.inchi |
| InChIKey | MCULE-8037874224-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875763788 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-893618377 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 7.025 g |
| P-873292187 | Angene | Building Blocks in stock | 98 | As a main component | 7 g |
| P-889498050 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-901525599 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-887189479 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-854719379 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-896072710 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-869156769 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892293609 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-888653007 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 74 mg |
| P-893950866 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 329.737 |
| logP | 2.4101 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 133.84 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 73.5221 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 10 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 |
