Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4782029881-0
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 | 12 USD | 97 | 8 working days | Get Quote |
| 5 mg | 12 USD | 97 | 8 working days | Get Quote |
| 10 mg | 12 USD | 97 | 8 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-4782029881-0.sdf |
| SMILES | MCULE-4782029881-0.smiles |
| Standard InChI | MCULE-4782029881-0.inchi |
| InChIKey | MCULE-4782029881-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587722 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875746767 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869185034 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352094 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869301675 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903077653 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 2 kg |
| P-606945797 | AmBeed | In stock | N/A | As is | in stock |
| P-596954976 | Angene | Building Blocks in stock | 97 | As is | 1.5 kg |
| P-494349853 | Apollo Scientific | In Stock | 95 | As is | 210 g |
| P-864150359 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590632248 | BLD pharm | In-stock building blocks | 97 | As is | 130 g |
| P-901477229 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-868580478 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580276185 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862016460 | FluoroChem | General BB | N/A | As is | in stock |
| P-890852292 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454416722 | Key Organics | Building Blocks | 95 | As is | 207 mg |
| P-454350881 | Key Organics | Screening Compounds and Fragments | 95 | As is | 207 mg |
| P-588254124 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-904073685 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-881190224 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500387175 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
| P-885531069 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424981945 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502372219 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611480128 | Toronto Research | In stock | 90 | As is | in stock |
| P-424721293 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 10.74 g |
| P-464690760 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 10.74 g |
| P-886938681 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.254 |
| logP | 1.9103 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 104.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.2079 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| 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 |
