Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4380837869
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-4380837869.sdf |
| SMILES | MCULE-4380837869.smiles |
| Standard InChI | MCULE-4380837869.inchi |
| InChIKey | MCULE-4380837869.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867596050 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875755061 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615723208 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893521330 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 109 g |
| P-436476196 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851489925 | AmBeed | On request | N/A | As is | by synthesis |
| P-489201472 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-895095242 | Angene | Building Blocks in stock | 95 | As is | 14 g |
| P-579787098 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864110316 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590841113 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454662567 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449229455 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
| P-861499348 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862073140 | FluoroChem | General BB | 95 | As is | in stock |
| P-492236254 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502744016 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454383577 | Key Organics | Building Blocks | 95 | As is | 47.405 g |
| P-18802511 | Key Organics | Screening Compounds and Fragments | 95 | As is | 47.405 g |
| P-852414091 | Matrix Scientific | All | N/A | As is | in stock |
| P-854920978 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-18944628 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33887117 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502402794 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855352077 | Toronto Research | In stock | 90 | As is | in stock |
| P-506385 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 62 mg |
| P-3243389 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 62 mg |
| P-893675300 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.268 |
| logP | 1.5868 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.551 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| 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 |
