Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9714174953
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 | 98 | 16 working days | Get Quote |
| 5 mg | 34 USD | 98 | 16 working days | Get Quote |
| 10 mg | 39 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.
-
1
MCULE-2290654141
- Component type: Main
-
1
MCULE-1113222985
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9714174953.sdf |
| SMILES | MCULE-9714174953.smiles |
| Standard InChI | MCULE-9714174953.inchi |
| InChIKey | MCULE-9714174953.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875789189 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489235357 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-851283120 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861479347 | Combi-Blocks | Building Block on demand | 97 | As is | by synthesis |
| P-899992628 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474020560 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619674186 | Molnova | Stock | 98 | As is | in stock |
| P-892945876 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-861280457 | Chiralstar | Chiralstar Building Blocks | 97 | Main component | in stock |
| P-899990586 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-892255166 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892339587 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-867626293 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-580454332 | AEchem | Building blocks | 95 | Main component as a main component | in stock |
| P-893618672 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 5.5 g |
| P-596965544 | Angene | Building Blocks in stock | 98 | Main component as a main component | 5 g |
| P-864124576 | AstaTech | In Stock BBs | 97 | Main component as a main component | in stock |
| P-893221371 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-580450124 | CliniSciences S.A.S | All products | 99 | Main component as a main component | in stock |
| P-608219935 | Glentham Life Sciences | Compounds maintained in stock | 97 | Main component as a main component | in stock |
| P-524201152 | Key Organics | Building Blocks | 97 | Main component as a main component | 100 mg |
| P-608116117 | LabSeeker, Inc | Stock Collection | 97 | Main component as a main component | in stock |
| P-856028180 | LaboTest | Screening Collection | 90 | Main component as a main component | 200 mg |
| P-596739047 | Synthonix | In-stock Building Blocks | 95 | Main component as a main component | unavailable |
| P-869163177 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892298925 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-888658570 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 90 mg |
| P-611402658 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-854974390 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 442.529 |
| logP | 4.2204 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 123.45 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.6751 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
