Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3335339184
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 | 39 USD | 98 | 16 working days | Get Quote |
| 5 mg | 84 USD | 95 | 37 working days | Get Quote |
| 10 mg | 116 USD | 95 | 37 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-5198800246
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3335339184.sdf |
| SMILES | MCULE-3335339184.smiles |
| Standard InChI | MCULE-3335339184.inchi |
| InChIKey | MCULE-3335339184.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867646528 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875813360 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874634685 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-856060952 | Aldlab Chemicals | Building Block Stock | 95 | As is | 1.7 g |
| P-889515933 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-873242919 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854717927 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-638889936 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-596870289 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-888632074 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869116574 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611518680 | Toronto Research | In stock | 90 | As is | in stock |
| P-852188222 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
| P-890155503 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869214934 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-864259939 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-580451218 | CliniSciences S.A.S | All products | 98 | As a main component | in stock |
| P-871077131 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-611518681 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.127 |
| logP | 2.2555 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 44.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.1474 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
