Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4101481709
Compound
Show structures
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 | 40 USD | 98 | 14 working days | Get Quote |
| 5 mg | 40 USD | 98 | 14 working days | Get Quote |
| 10 mg | 40 USD | 98 | 14 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-4101481709.sdf |
| SMILES | MCULE-4101481709.smiles |
| Standard InChI | MCULE-4101481709.inchi |
| InChIKey | MCULE-4101481709.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875705738 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588245732 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903031285 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 25 g |
| P-436451751 | Alinda | Building Blocks | 95 | As is | 48 g |
| P-34851270 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851703302 | AmBeed | On request | N/A | As is | by synthesis |
| P-489231230 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865905027 | Angene | Building Blocks in stock | 98 | As is | 25 g |
| P-589660605 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-896028858 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-492251544 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4142435 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-619933658 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868601330 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580424864 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861979675 | FluoroChem | General BB | N/A | As is | in stock |
| P-502494141 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504527199 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-454332567 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-579635420 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
| P-852406027 | Matrix Scientific | All | N/A | As is | in stock |
| P-864067897 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-873219462 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23193832 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611432933 | Toronto Research | In stock | 90 | As is | in stock |
| P-872759270 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.225 |
| logP | 2.6154 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.8384 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
