Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5580044548
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 | 29 USD | 95 | 20 working days | Get Quote |
| 5 mg | 29 USD | 95 | 20 working days | Get Quote |
| 10 mg | 29 USD | 95 | 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.
-
1
MCULE-8839284669
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5580044548.sdf |
| SMILES | MCULE-5580044548.smiles |
| Standard InChI | MCULE-5580044548.inchi |
| InChIKey | MCULE-5580044548.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851589334 | AmBeed | On request | N/A | Main component | by synthesis |
| P-864304438 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-579618553 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-888647403 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869142625 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-886935550 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-875739396 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-869193648 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-579761821 | AK Scientific | Building Blocks | 97 | Main component as a main component | in stock |
| P-606919364 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489142447 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-865909391 | Angene | Building Blocks in stock | 95 | Main component as a main component | 49 g |
| P-864088805 | AstaTech | In Stock BBs | 97 | Main component as a main component | in stock |
| P-878233390 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 49 g |
| P-887119762 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-580433718 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-861943109 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-870657432 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-505523241 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-563462020 | Key Organics | Building Blocks | 97 | Main component as a main component | 250 mg |
| P-579675460 | LabSeeker, Inc | On demand Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-856012508 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-852458899 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-854766161 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-593778054 | Otava | Virtual BB | 95 | Main component as a main component | by synthesis |
| P-502328859 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-596714938 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 1000 mg |
| P-611372749 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-575305745 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 174.627 |
| logP | 2.2487 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 58.28 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.9051 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
