MCULE-8804639652
- 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 | 12 USD | 97 | 20 working days | Get Quote |
5 mg | 12 USD | 97 | 20 working days | Get Quote |
10 mg | 12 USD | 97 | 20 working days | Get Quote |
- 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-8804639652.sdf |
SMILES | MCULE-8804639652.smiles |
Standard InChI | MCULE-8804639652.inchi |
InChIKey | MCULE-8804639652.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886536955 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890142090 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590368519 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-893506451 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 52.07 g |
P-436459564 | Alinda | Building Blocks | 95 | As is | 1000 mg |
P-517167853 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-596943131 | Angene | Building Blocks in stock | 97 | As is | 26.02 g |
P-864158676 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619934368 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-577090498 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
P-868618376 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580762687 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580347180 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-454385626 | Key Organics | Building Blocks | 95 | As is | 332 mg |
P-18806311 | Key Organics | Screening Compounds and Fragments | 95 | As is | 332 mg |
P-608114232 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-852431358 | Matrix Scientific | All | N/A | As is | in stock |
P-854751274 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888868693 | PharmaBlock | In stock | N/A | As is | in stock |
P-425012180 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885542770 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888603458 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611576051 | Toronto Research | In stock | 90 | As is | in stock |
P-424728739 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 30 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 173.211 |
logP | 2.3809 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 22.0 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 53.3945 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |