Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4652582072
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 | 7 USD | N/A | 14 working days | Get Quote |
| 5 mg | 9 USD | N/A | 14 working days | Get Quote |
| 10 mg | 9 USD | N/A | 14 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-3600081195
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4652582072.sdf |
| SMILES | MCULE-4652582072.smiles |
| Standard InChI | MCULE-4652582072.inchi |
| InChIKey | MCULE-4652582072.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-606929967 | AmBeed | In stock | N/A | As is | in stock |
| P-580195450 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864192196 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699550 | BLD pharm | In-stock building blocks | 99 | As is | 17.948 g |
| P-861471808 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-870662022 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
| P-608220581 | Glentham Life Sciences | Compounds maintained in stock | 97 | As is | in stock |
| P-31194766 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-854712831 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871071612 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-579711840 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888626754 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107716 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-852176113 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-890159795 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869336950 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-881617244 | AmBeed | On request | N/A | Main component | by synthesis |
| P-875890745 | Angene | Building Blocks in stock | N/A | Main component | 1000 mg |
| P-889520055 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-584621310 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-888173121 | Molnova | On demand | 98 | Main component | by synthesis |
| P-608276378 | Molnova | Stock | 98 | Main component | in stock |
| P-888629312 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869111361 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-611425574 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 318.127 |
| logP | 3.4819 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.9887 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 2 |
| 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 |
