Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9121420422
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 | 5 USD | 95 | 9 working days | Get Quote |
| 5 mg | 5 USD | 95 | 9 working days | Get Quote |
| 10 mg | 5 USD | 95 | 9 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-9121420422.sdf |
| SMILES | MCULE-9121420422.smiles |
| Standard InChI | MCULE-9121420422.inchi |
| InChIKey | MCULE-9121420422.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867592188 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875750425 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881661475 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590397596 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606860347 | AmBeed | In stock | N/A | As is | in stock |
| P-596956064 | Angene | Building Blocks in stock | 95 | As is | 298.75 g |
| P-864130883 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590603341 | BLD pharm | In-stock building blocks | 95 | As is | 202 g |
| P-851246529 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868602250 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580292783 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862047356 | FluoroChem | General BB | N/A | As is | in stock |
| P-494299669 | Frinton Laboratories | Frinton Building Blocks | 97 | As is | in stock |
| P-488550883 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-31197722 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-856042729 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-852522071 | Matrix Scientific | All | N/A | As is | in stock |
| P-865620810 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-454369146 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-19442433 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524055 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502331741 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22499126 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-3228440 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.044 g |
| P-25062168 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.044 g |
| P-667020928 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.161 |
| logP | 1.285 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 86.18 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.6318 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| 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 |
