Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6844529304
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 | 11 USD | 98 | 14 working days | Get Quote |
| 5 mg | 11 USD | 98 | 14 working days | Get Quote |
| 10 mg | 11 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-6844529304.sdf |
| SMILES | MCULE-6844529304.smiles |
| Standard InChI | MCULE-6844529304.inchi |
| InChIKey | MCULE-6844529304.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867566430 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875725877 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590396287 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903054802 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 800 g |
| P-866096645 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
| P-580237997 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-617066545 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606928088 | AmBeed | In stock | N/A | As is | in stock |
| P-489106344 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489153912 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596947149 | Angene | Building Blocks in stock | 96 | As is | 35 g |
| P-494345023 | Apollo Scientific | In Stock | 95 | As is | 100 mg |
| P-864107050 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481165723 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 4 g |
| P-577133289 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-851248826 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868595179 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580407019 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901378227 | FluoroChem | In Stock BB | N/A | As is | 10 g |
| P-505535056 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454403202 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-454323357 | Key Organics | Screening Compounds and Fragments | 95 | As is | unavailable |
| P-579614923 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-856014630 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852412585 | Matrix Scientific | All | N/A | As is | in stock |
| P-519763174 | Maybridge | Maybridge Building Blocks | 95 | As is | 682.8 g |
| P-863713723 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500390156 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-519877745 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885548102 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596747011 | Synthonix | In-stock Building Blocks | 98 | As is | 114 g |
| P-611371870 | Toronto Research | In stock | 90 | As is | in stock |
| P-666971897 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.054 |
| logP | 2.13588 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.86 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.2215 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
