Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4552434209
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 | 63 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 95 | 10 working days | Get Quote |
| 10 mg | 72 USD | 95 | 10 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-4552434209.sdf |
| SMILES | MCULE-4552434209.smiles |
| Standard InChI | MCULE-4552434209.inchi |
| InChIKey | MCULE-4552434209.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867554163 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890141862 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869334945 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851525210 | AmBeed | On request | N/A | As is | by synthesis |
| P-589654201 | Apollo Scientific | In Stock | 95 | As is | 4.5 g |
| P-590788456 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-580406334 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-502446413 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503006564 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502946279 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-856000502 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-854916993 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13116555 | Otava | In-House Stock Library | 90 | As is | 5 mg |
| P-896078048 | Specs | Repurposed Compounds | N/A | As is | 6.97 g |
| P-902557502 | Specs | Natural Products | 80 | As is | 6.97 g |
| P-502329291 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855359307 | Toronto Research | In stock | 90 | As is | in stock |
| P-868493801 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 1.8777 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 43.3981 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
