Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3821428381
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 | 41 USD | 90 | 22 working days | Get Quote |
| 5 mg | 54 USD | 90 | 22 working days | Get Quote |
| 10 mg | 54 USD | 98 | 20 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-3821428381.sdf |
| SMILES | MCULE-3821428381.smiles |
| Standard InChI | MCULE-3821428381.inchi |
| InChIKey | MCULE-3821428381.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867546928 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875703565 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590370595 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-903028072 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 50 g |
| P-893542379 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 163.309 g |
| P-851854518 | AmBeed | On request | N/A | As is | by synthesis |
| P-873289461 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-889780948 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591179636 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492267188 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-427945430 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-454709864 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-448676606 | ChemDiv | Discovery Chemistry Library | 90 | As is | 763 mg |
| P-436458649 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | in stock |
| P-425203444 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-872749822 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580310089 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579491762 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 5 g |
| P-890207344 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502472872 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454362075 | Key Organics | Screening Compounds and Fragments | 90 | As is | 95 mg |
| P-579677000 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-852430702 | Matrix Scientific | All | N/A | As is | in stock |
| P-1263152505 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-859962399 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-519972715 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-535658786 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
| P-873221623 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-903762279 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-480157910 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.200 |
| logP | 1.8761 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.7598 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| 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 |
