Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5441845958
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 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-5441845958.sdf |
| SMILES | MCULE-5441845958.smiles |
| Standard InChI | MCULE-5441845958.inchi |
| InChIKey | MCULE-5441845958.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867661992 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875830968 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869189315 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505350867 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-617067851 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606906859 | AmBeed | In stock | N/A | As is | in stock |
| P-489117723 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596973017 | Angene | Building Blocks in stock | 98 | As is | 109 g |
| P-494344413 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-889444639 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580728591 | BLD pharm | In-stock building blocks | 98 | As is | 247 g |
| P-851281829 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861279310 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868578818 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580421044 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861934053 | FluoroChem | General BB | N/A | As is | in stock |
| P-505540563 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-505516762 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488548612 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454417226 | Key Organics | Building Blocks | 95 | As is | 8 g |
| P-454352255 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-860797068 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-580482455 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852496997 | Matrix Scientific | All | N/A | As is | in stock |
| P-428008113 | Maybridge | Screening Collection | 95 | As is | 1.3 kg |
| P-863719344 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-454367588 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500402278 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-23969454 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523804 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596737113 | Synthonix | In-stock Building Blocks | 98 | As is | 2.021 kg |
| P-502371311 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611497975 | Toronto Research | In stock | 90 | As is | in stock |
| P-2377293 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.967 g |
| P-3227901 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.967 g |
| P-615456662 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.579 |
| logP | 2.37508 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 49.81 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.5714 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| 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 |
