Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6944198613
Compound
Show structures
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 | 70 USD | 90 | 22 working days | Get Quote |
| 5 mg | 102 USD | 90 | 22 working days | Get Quote |
| 10 mg | 130 USD | 92 | 18 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.
-
MCULE-1355541443
- Component type: Main
-
MCULE-5310743535
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6944198613.sdf |
| SMILES | MCULE-6944198613.smiles |
| Standard InChI | MCULE-6944198613.inchi |
| InChIKey | MCULE-6944198613.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852143389 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889996180 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-893469906 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 488 mg |
| P-851410449 | AmBeed | On request | N/A | As is | by synthesis |
| P-590735702 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-666913558 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-868548456 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862110919 | FluoroChem | General BB | 95 | As is | in stock |
| P-502447334 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502596970 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492214235 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-601065401 | Life Chemicals | Screening Compounds | 90 | As is | 483 mg |
| P-14055525 | Life Chemicals | Building Blocks | 95 | As is | 483 mg |
| P-852506602 | Matrix Scientific | All | N/A | As is | in stock |
| P-895332274 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13253884 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-856064156 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
| P-868126172 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896080060 | Specs | Repurposed Compounds | N/A | As is | 9.316 g |
| P-33815742 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502350382 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855253760 | Toronto Research | In stock | 90 | As is | in stock |
| P-675256528 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-675516738 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-580008200 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-675486027 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-613332460 | Life Chemicals | Building Blocks - virtual | 95 | As a main component | by synthesis |
| P-13305074 | Pharmeks LLC | Semi-natural compounds | 92 | As a main component | 300 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.216 |
| logP | 1.4664 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.37 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.4078 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
