Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2871304131
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 | 8 working days | Get Quote |
| 5 mg | 82 USD | 95 | 17 working days | Get Quote |
| 10 mg | 104 USD | 95 | 11 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-1315259772
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2871304131.sdf |
| SMILES | MCULE-2871304131.smiles |
| Standard InChI | MCULE-2871304131.inchi |
| InChIKey | MCULE-2871304131.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867670768 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875844742 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869235401 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-619275103 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-868568664 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862059398 | FluoroChem | General BB | N/A | As is | in stock |
| P-855951818 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-31145811 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-895694992 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-675079052 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22447646 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 123 mg |
| P-855224926 | Toronto Research | In stock | 90 | As is | in stock |
| P-893662035 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-674990529 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889906474 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-612940821 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-489229200 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-580437939 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-575337439 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
| P-14043661 | InFarmatik | Building Blocks | 90 | Main component | no data |
| P-862384722 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-611662962 | Manchester Organics | Compounds on demand | 95 | Main component | by synthesis |
| P-852393573 | Matrix Scientific | All | N/A | Main component | in stock |
| P-519758211 | Maybridge | Maybridge Building Blocks | 95 | Main component | 5.3 g |
| P-428051856 | Maybridge | Screening Collection | 95 | Main component | 590 g |
| P-895278200 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-502402376 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611606377 | Toronto Research | In stock | 90 | Main component | in stock |
| P-575304281 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 257.715 |
| logP | 3.1119 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 61.09 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.3947 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
