Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4605032322
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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.
| Name | File |
|---|---|
| SDF | MCULE-4605032322.sdf |
| SMILES | MCULE-4605032322.smiles |
| Standard InChI | MCULE-4605032322.inchi |
| InChIKey | MCULE-4605032322.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867624377 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875787598 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590391009 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893464353 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 442.659 g |
| P-606831573 | AmBeed | In stock | N/A | As is | in stock |
| P-489164252 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619157910 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-494351742 | Apollo Scientific | In Stock | 95 | As is | 500 mg |
| P-864091330 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-611003660 | BLD pharm | In-stock building blocks | 95 | As is | 31.25 g |
| P-901543163 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-851298143 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-896545192 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580299820 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901379175 | FluoroChem | In Stock BB | N/A | As is | 5 g |
| P-505545675 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454405202 | Key Organics | Building Blocks | 95 | As is | 3.988 g |
| P-18813728 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.988 g |
| P-860797198 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-580461818 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852416288 | Matrix Scientific | All | N/A | As is | in stock |
| P-854728695 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888870197 | PharmaBlock | In stock | N/A | As is | in stock |
| P-613810165 | Spirochem | All | 95 | As is | in stock |
| P-498670915 | Synthonix | In-stock Building Blocks | 97 | As is | 9 g |
| P-502392951 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611409350 | Toronto Research | In stock | 90 | As is | in stock |
| P-480957456 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.220 |
| logP | 2.27818 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.74 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.1174 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
