Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3223177941-0
Structure
Show compound
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 | 8 USD | 98 | 14 working days | Get Quote |
| 5 mg | 8 USD | 98 | 14 working days | Get Quote |
| 10 mg | 8 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-3223177941-0.sdf |
| SMILES | MCULE-3223177941-0.smiles |
| Standard InChI | MCULE-3223177941-0.inchi |
| InChIKey | MCULE-3223177941-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867574701 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875734597 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590378760 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903064358 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 200 g |
| P-606952099 | AmBeed | In stock | N/A | As is | in stock |
| P-489188918 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596983298 | Angene | Building Blocks in stock | 98 | As is | 200 g |
| P-494347925 | Apollo Scientific | In Stock | 95 | As is | unavailable |
| P-864086848 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-615699340 | BLD pharm | In-stock building blocks | 98 | As is | 31 g |
| P-901459286 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4349119 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-607724199 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-119052 | Chemical Block | Screening Library | 90 | As is | 7 mg |
| P-851280022 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868642038 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34737344 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580406818 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901378827 | FluoroChem | In Stock BB | N/A | As is | 50 g |
| P-588281376 | Georganics Ltd. | In stock | 99 | As is | in stock |
| P-505529175 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502528483 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454407567 | Key Organics | Building Blocks | 97 | As is | 302 mg |
| P-454330547 | Key Organics | Screening Compounds and Fragments | 97 | As is | 302 mg |
| P-31167248 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-580480082 | Manchester Organics | Compounds on demand | 99 | As is | by synthesis |
| P-852550522 | Matrix Scientific | All | N/A | As is | in stock |
| P-854737302 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500401743 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-24069988 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502330475 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22507691 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 150 mg |
| P-611376717 | Toronto Research | In stock | 90 | As is | in stock |
| P-1849369 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
| P-575298904 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.283 |
| logP | 3.6689 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 61.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.079 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
