Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4443466648
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 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-2881069408
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4443466648.sdf |
| SMILES | MCULE-4443466648.smiles |
| Standard InChI | MCULE-4443466648.inchi |
| InChIKey | MCULE-4443466648.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893457051 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.679 g |
| P-892483654 | Asinex | General screening catalog | 90 | As is | unavailable |
| P-504760772 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-861366289 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862110904 | FluoroChem | General BB | 95 | As is | in stock |
| P-675491520 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-852506375 | Matrix Scientific | All | N/A | As is | in stock |
| P-895291392 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26526488 | Otava | In-House Stock Library | 90 | As is | 1.457 g |
| P-492285040 | Otava | Chemical Building Blocks for Prompt Delivery | 99 | As is | 1.457 g |
| P-896113222 | Specs | Screening Compounds | 90 | As is | 12 mg |
| P-873215644 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873225773 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-892670624 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855234283 | Toronto Research | In stock | 90 | As is | in stock |
| P-617781510 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 81 mg |
| P-867308663 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889931863 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-851554135 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611112599 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-502468383 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-864074424 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-424904447 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 287.780 |
| logP | 3.213 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 53.71 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.9534 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
