Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5131564579-0
Structure
Show compound
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 | 24 USD | 98 | 20 working days | Get Quote |
| 5 mg | 24 USD | 98 | 20 working days | Get Quote |
| 10 mg | 24 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.
| Name | File |
|---|---|
| SDF | MCULE-5131564579-0.sdf |
| SMILES | MCULE-5131564579-0.smiles |
| Standard InChI | MCULE-5131564579-0.inchi |
| InChIKey | MCULE-5131564579-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-436463634 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606840947 | AmBeed | In stock | N/A | As is | in stock |
| P-489105941 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596993560 | Angene | Building Blocks in stock | 98 | As is | 70 g |
| P-864120372 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-870565716 | BLD pharm | In-stock building blocks | 98 | As is | 12.1 g |
| P-492252073 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4143243 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-504695829 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-619932462 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-5082922 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-436441977 | Chemical Block | Building Blocks | 90 | As is | 14.09 g |
| P-233641 | Chemical Block | Screening Library | 90 | As is | 251 mg |
| P-868623429 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34699793 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580787072 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-862039393 | FluoroChem | General BB | 95 | As is | in stock |
| P-492227969 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502933889 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502485219 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504466174 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-488549611 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13709517 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596571950 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-863658749 | Life Chemicals | Building Blocks | 95 | As is | 1.095 g |
| P-460553797 | Life Chemicals | Screening Compounds | 90 | As is | 1.095 g |
| P-852434140 | Matrix Scientific | All | N/A | As is | in stock |
| P-454371723 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-873283716 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-454244623 | Specs | Screening Compounds | 90 | As is | 2.569 g |
| P-502336620 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22521537 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 50 mg |
| P-666976933 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.164 |
| logP | 1.0301 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 80.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.0181 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
