Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5142805548-0
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 | 5 USD | 99 | 9 working days | Get Quote |
| 5 mg | 5 USD | 99 | 9 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-5142805548-0.sdf |
| SMILES | MCULE-5142805548-0.smiles |
| Standard InChI | MCULE-5142805548-0.inchi |
| InChIKey | MCULE-5142805548-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869187423 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353180 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505389493 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606949326 | AmBeed | In stock | N/A | As is | in stock |
| P-580193711 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864131429 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860055530 | AvaChem Scientific | All products | 99 | As is | by synthesis |
| P-868545891 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-580699100 | BLD pharm | In-stock building blocks | 99 | As is | 32.25 g |
| P-871220273 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-505575219 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-851247455 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-580450293 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-868591550 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-608496585 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-608220403 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-505498971 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488555527 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488553552 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524440347 | Key Organics | Biochemicals | 97 | As is | 421 mg |
| P-852522517 | Matrix Scientific | All | N/A | As is | in stock |
| P-854719438 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474023726 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608274673 | Molnova | Stock | 98 | As is | in stock |
| P-454373447 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13831570 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500377292 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-519918019 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528893 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579710383 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888634828 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869119975 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-2027868 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.013 g |
| P-464682084 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.013 g |
| P-590435347 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 445.537 |
| logP | 4.3316 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 138.53 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.3026 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 27 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
