Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4452059641
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 | 5 USD | 97 | 8 working days | Get Quote |
| 5 mg | 5 USD | 97 | 8 working days | Get Quote |
| 10 mg | 5 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-4452059641.sdf |
| SMILES | MCULE-4452059641.smiles |
| Standard InChI | MCULE-4452059641.inchi |
| InChIKey | MCULE-4452059641.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867548019 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875705040 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597028408 | AEchem | Building blocks | 97 | As is | in stock |
| P-505399087 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610953846 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.80775 kg |
| P-580241904 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-675054204 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-617043941 | Allbio Pharm | Backorder | 95 | As is | by resynthesis (? - ? days) |
| P-606856729 | AmBeed | In stock | N/A | As is | in stock |
| P-489185426 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596940445 | Angene | Building Blocks in stock | 97 | As is | 3.13475 kg |
| P-494338745 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864089177 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-481170309 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 25 g |
| P-580725752 | BLD pharm | In-stock building blocks | 97 | As is | 148.5 g |
| P-454664066 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619837444 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2.095 g |
| P-851241120 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861269862 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868640839 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580435226 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889113760 | FluoroChem | In Stock BB | N/A | As is | 3 g |
| P-505538533 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502568495 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454392681 | Key Organics | Building Blocks | 95 | As is | 24.696 g |
| P-18810979 | Key Organics | Screening Compounds and Fragments | 95 | As is | 24.696 g |
| P-608086277 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-867705644 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580475029 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852415555 | Matrix Scientific | All | N/A | As is | in stock |
| P-854728119 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888857462 | PharmaBlock | In stock | N/A | As is | in stock |
| P-491077912 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579704465 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
| P-613807727 | Spirochem | All | 95 | As is | in stock |
| P-498717767 | Synthonix | In-stock Building Blocks | 97 | As is | 3.43495 kg |
| P-892263300 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892344635 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502361626 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611386524 | Toronto Research | In stock | 90 | As is | in stock |
| P-480942295 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.145 |
| logP | 1.2611 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.053 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| 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 |
