Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4516925072
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 | 23 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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.
| Name | File |
|---|---|
| SDF | MCULE-4516925072.sdf |
| SMILES | MCULE-4516925072.smiles |
| Standard InChI | MCULE-4516925072.inchi |
| InChIKey | MCULE-4516925072.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867293905 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889909975 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869299909 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-612675749 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-19918272 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-675064202 | Alinda | Building Blocks | 95 | As is | in stock |
| P-881623746 | AmBeed | On request | N/A | As is | by synthesis |
| P-890231926 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-427971641 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-577168113 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-577210970 | ChemDiv | Discovery Chemistry Library | 90 | As is | 95 mg |
| P-887196297 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34653635 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-492272843 | Eximed | Building Block Catalog | 95 | As is | 6.03 g |
| P-428624637 | Eximed | In-stock screening compounds | 90 | As is | 6.03 g |
| P-889380608 | FluoroChem | General BB | N/A | As is | in stock |
| P-492245489 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502998014 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502504598 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-856019416 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-613276889 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-869016123 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-424114092 | Otava | In-House Stock Library | 90 | As is | 8.03 g |
| P-620223034 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 8.03 g |
| P-19178208 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856065542 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 8.03 g |
| P-890839430 | Rare Chemicals GmbH | In stock | 95 | As is | in stock |
| P-888545734 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855249372 | Toronto Research | In stock | 90 | As is | in stock |
| P-1501765 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.221 |
| logP | 2.5498 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.6343 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
