MCULE-9653682556
- 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 | 42 USD | 97 | 20 working days | Get Quote |
5 mg | 42 USD | 97 | 20 working days | Get Quote |
10 mg | 42 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-9653682556.sdf |
SMILES | MCULE-9653682556.smiles |
Standard InChI | MCULE-9653682556.inchi |
InChIKey | MCULE-9653682556.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872828979 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875777540 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-597021241 | AEchem | Building blocks | 95 | As is | in stock |
P-597018690 | AEchem | Building blocks | 95 | As is | in stock |
P-615719985 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-870664055 | AmBeed | In stock | N/A | As is | in stock |
P-489160184 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-868839177 | Angene | Building Blocks in stock | 97 | As is | 27.85 g |
P-494348371 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-889586134 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-871194012 | BLD pharm | In-stock building blocks | 97 | As is | 27.85 g |
P-851316721 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861330284 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580281885 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889361788 | FluoroChem | General BB | N/A | As is | in stock |
P-523988929 | Key Organics | Screening Compounds and Fragments | 90 | As is | 245 mg |
P-852461971 | Matrix Scientific | All | N/A | As is | in stock |
P-519759111 | Maybridge | Maybridge Building Blocks | 97 | As is | 9.6 g |
P-868742839 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888864421 | PharmaBlock | In stock | N/A | As is | in stock |
P-500396704 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-889883791 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502396980 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855313591 | Toronto Research | In stock | 90 | As is | in stock |
P-868511977 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 192.047 |
logP | 0.8895 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 68.7 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.6166 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
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 |