Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5605899388
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 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-5605899388.sdf |
| SMILES | MCULE-5605899388.smiles |
| Standard InChI | MCULE-5605899388.inchi |
| InChIKey | MCULE-5605899388.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867576712 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-590397656 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-425203671 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-19872195 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851939078 | AmBeed | In stock | N/A | As is | in stock |
| P-851941376 | AmBeed | In stock | N/A | As is | in stock |
| P-895099518 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-597007773 | Angene | Building Blocks in stock | 98 | As is | 500 g |
| P-895947190 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-494345292 | Apollo Scientific | In Stock | 95 | As is | 2 g |
| P-864197545 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893231512 | Biosynth | In Stock | 95 | As is | in stock |
| P-3284297 | ChemDiv | Discovery Chemistry Library | 90 | As is | 850 mg |
| P-580302766 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861919650 | FluoroChem | General BB | N/A | As is | in stock |
| P-503124831 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12930881 | InterBioScreen | Screening Compounds | 92 | As is | 252 mg |
| P-454292015 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-579723518 | Menai Organics | Building blocks | 90 | As is | in stock |
| P-888164123 | Menai Organics | Screening compounds | 90 | As is | in stock |
| P-888172417 | Molnova | On demand | 98 | As is | by synthesis |
| P-12322546 | Otava | In-House Stock Library | 90 | As is | 5 mg |
| P-13602209 | Pharmeks LLC | Synthetic compounds | 92 | As is | 252 mg |
| P-500390705 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-424798636 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885546806 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896075532 | Specs | Repurposed Compounds | N/A | As is | 1.656 g |
| P-892274526 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869178387 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892299366 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892350939 | TargetMol | Screening Compounds - stock amount | 95 | As is | 153 mg |
| P-22638798 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502369610 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888430600 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611377707 | Toronto Research | In stock | 90 | As is | in stock |
| P-606274 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 52 mg |
| P-886909335 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.253 |
| logP | 3.2883 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.2715 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
