Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1790004103
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 | 38 USD | N/A | 9 working days | Get Quote |
| 5 mg | 38 USD | N/A | 9 working days | Get Quote |
| 10 mg | 38 USD | N/A | 9 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-9739699022
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1790004103.sdf |
| SMILES | MCULE-1790004103.smiles |
| Standard InChI | MCULE-1790004103.inchi |
| InChIKey | MCULE-1790004103.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867692215 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875871898 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874636896 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-903344299 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 600 mg |
| P-893610192 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 750 mg |
| P-878260640 | AmBeed | In stock | N/A | As is | in stock |
| P-875892062 | Angene | Building Blocks in stock | 99 | As is | 600 mg |
| P-872725291 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889592987 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890244203 | BLD pharm | In-stock building blocks | 99 | As is | 1.27 g |
| P-901488142 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-888621038 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-904640599 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-863723191 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-888170076 | Molnova | On demand | 98 | As is | by synthesis |
| P-869109217 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892287174 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888627914 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.463 g |
| P-894008417 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886637219 | A2B Chem | Predominantly Building Block in stock | 10 | Main component | in stock |
| P-890163151 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-892785841 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-903181891 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 500 mg |
| P-893611856 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 2.7 g |
| P-881615800 | AmBeed | In stock | N/A | Main component | in stock |
| P-888821334 | Angene | Building Blocks in stock | 98 | Main component | 500 mg |
| P-889592997 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-890243967 | BLD pharm | In-stock building blocks | 98 | Main component | 1.234 g |
| P-524439114 | Key Organics | Biochemicals | 97 | Main component | 840 mg |
| P-904640613 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-854718623 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-888171256 | Molnova | On demand | 98 | Main component | by synthesis |
| P-869126991 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892291197 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888640192 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 200 mg |
| P-855065847 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886909367 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 540.565 |
| logP | 6.9163 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 62.75 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.6667 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 43 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
