Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3099946931
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 | 37 USD | 98 | 20 working days | Get Quote |
| 5 mg | 37 USD | 98 | 20 working days | Get Quote |
| 10 mg | 37 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.
-
1
MCULE-9310144079
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3099946931.sdf |
| SMILES | MCULE-3099946931.smiles |
| Standard InChI | MCULE-3099946931.inchi |
| InChIKey | MCULE-3099946931.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893413053 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-867556443 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875715616 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597015214 | AEchem | Building blocks | 95 | Main component | in stock |
| P-590356540 | AK Scientific | Building Blocks | 99 | Main component | in stock |
| P-893580226 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 204.816 g |
| P-856048930 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-851508861 | AmBeed | On request | N/A | Main component | by synthesis |
| P-489165523 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-873290191 | Angene | Building Blocks in stock | 98 | Main component | 50 g |
| P-889575002 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-590779452 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-896544120 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-868643188 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580299331 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-862017822 | FluoroChem | General BB | 95 | Main component | in stock |
| P-454402509 | Key Organics | Building Blocks | 95 | Main component | 32.711 g |
| P-18811501 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 32.711 g |
| P-579676193 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-852415636 | Matrix Scientific | All | N/A | Main component | in stock |
| P-35271979 | Maybridge | Screening Collection | 90 | Main component | 1.591 kg |
| P-868743062 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-888865871 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-502403469 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611609704 | Toronto Research | In stock | 90 | Main component | in stock |
| P-872761216 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 263.645 |
| logP | 4.0609 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.3951 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
