Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4584658957
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 45 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 90 | 22 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-7347728973
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4584658957.sdf |
| SMILES | MCULE-4584658957.smiles |
| Standard InChI | MCULE-4584658957.inchi |
| InChIKey | MCULE-4584658957.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892898202 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-891660623 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895116151 | Angene | Building Blocks in stock | 99 | Main component | 500 mg |
| P-4530432 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 100 mg |
| P-4846907 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 3 mg |
| P-34663992 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-502690442 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-503078769 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-12487441 | InterBioScreen | Screening Compounds | 92 | Main component | 200 mg |
| P-631820586 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-12355794 | Otava | In-House Stock Library | 90 | Main component | 29 mg |
| P-12302717 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-13606616 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 200 mg |
| P-579245868 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-19157308 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-892274351 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892299250 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-892350788 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 1.014 g |
| P-22466760 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 54 mg |
| P-1829644 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.158 g |
| P-2449117 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 30 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 394.717 |
| logP | 5.2895 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 68.75 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 98.7537 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
