Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4035472855
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 | 5 USD | 97 | 16 working days | Get Quote |
| 5 mg | 5 USD | 97 | 16 working days | Get Quote |
| 10 mg | 5 USD | 97 | 16 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-4035472855.sdf |
| SMILES | MCULE-4035472855.smiles |
| Standard InChI | MCULE-4035472855.inchi |
| InChIKey | MCULE-4035472855.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867567308 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875727021 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535626329 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505395058 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-608434693 | Aldlab Chemicals | Building Block Stock | 95 | As is | 100 g |
| P-606872812 | AmBeed | In stock | N/A | As is | in stock |
| P-489161357 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596929588 | Angene | Building Blocks in stock | 95 | As is | 4.567 kg |
| P-589653671 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864140456 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-15156882 | ChemDiv | Discovery Chemistry Library | 90 | As is | 24 mg |
| P-350816 | Chemical Block | Screening Library | 90 | As is | 1.874 g |
| P-851297098 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861271269 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868591888 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34732490 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580434482 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861918569 | FluoroChem | General BB | N/A | As is | in stock |
| P-870660997 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-524167441 | Key Organics | Building Blocks | 99 | As is | 25 g |
| P-855993065 | Key Organics | Screening Compounds and Fragments | 99 | As is | 100 mg |
| P-579633819 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
| P-31166674 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580469751 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852444100 | Matrix Scientific | All | N/A | As is | in stock |
| P-854730402 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500376385 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-24067028 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885549837 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596792608 | Synthonix | In-stock Building Blocks | 95 | As is | 4.959 kg |
| P-33452713 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-611361235 | Toronto Research | In stock | 90 | As is | in stock |
| P-611361247 | Toronto Research | In stock | 90 | As is | in stock |
| P-2146825 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 72 mg |
| P-615395566 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.215 |
| logP | 2.6846 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 42.52 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.869 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
