Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1090713581
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 | 17 USD | 97 | 20 working days | Get Quote |
| 5 mg | 17 USD | 97 | 20 working days | Get Quote |
| 10 mg | 17 USD | 97 | 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-1090713581.sdf |
| SMILES | MCULE-1090713581.smiles |
| Standard InChI | MCULE-1090713581.inchi |
| InChIKey | MCULE-1090713581.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875727585 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890158872 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903156429 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 10 g |
| P-903056890 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 125 g |
| P-900154902 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-900154953 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-580703088 | BLD pharm | In-stock building blocks | 97 | As is | 16.25 g |
| P-862399601 | BLD pharm | In-stock building blocks | 95 | As is | 1.6 g |
| P-872448532 | Chemshuttle | Stock catalog | 95 | As is | 27.27 g |
| P-868627774 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-579617709 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-852523345 | Matrix Scientific | All | N/A | As is | in stock |
| P-902985691 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854728867 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-867567800 | A2B Chem | Predominantly Building Block in stock | 97 | As an isomer | in stock |
| P-867636570 | A2B Chem | Predominantly Building Block in stock | 95 | As an isomer | in stock |
| P-590401134 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-893556069 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 335.48 g |
| P-893554595 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 12.399 g |
| P-867712690 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-606880286 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596948033 | Angene | Building Blocks in stock | 97 | As an isomer | 125 g |
| P-892190540 | Angene | Building Blocks in stock | 95 | As an isomer | 10 g |
| P-895933185 | Apollo Scientific | On request | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864166154 | AstaTech | In Stock BBs | 97 | As an isomer | in stock |
| P-869388158 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-893229711 | Biosynth | In Stock | 95 | As an isomer | in stock |
| P-893229908 | Biosynth | In Stock | 95 | As an isomer | in stock |
| P-580420964 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-505529062 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-524195718 | Key Organics | Building Blocks | 97 | As an isomer | 1000 mg |
| P-579707932 | Sinova Inc. | In-stock Building Blocks | N/A | As an isomer | in stock |
| P-596772762 | Synthonix | In-stock Building Blocks | 97 | As an isomer | 81.5 g |
| P-892276006 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892300500 | TargetMol | In Stock BB | 95 | As an isomer | unavailable |
| P-892352271 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 200 mg |
| P-873222276 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-611493120 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-611429725 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-611614329 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-886970321 | eNovation Chemicals LLC | Building Block on demand | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 300.284 |
| logP | 3.0995 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 82.19 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 83.3387 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
