MCULE-9633488390
- 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 | 24 USD | 95 | 22 working days | Get Quote |
5 mg | 24 USD | 95 | 22 working days | Get Quote |
10 mg | 24 USD | 95 | 22 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.
-
1
MCULE-1584367802
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9633488390.sdf |
SMILES | MCULE-9633488390.smiles |
Standard InChI | MCULE-9633488390.inchi |
InChIKey | MCULE-9633488390.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872837357 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875856291 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-887313241 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893367177 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-489160416 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-873287337 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893226099 | Biosynth | In Stock | 95 | As is | in stock |
P-878239833 | CHESS Chem | All products | 98 | As is | in stock |
P-861496415 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580304949 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-579674072 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-856015476 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852454333 | Matrix Scientific | All | N/A | As is | in stock |
P-854924221 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500389988 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-502328556 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611482418 | Toronto Research | In stock | 90 | As is | in stock |
P-893681456 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-851322245 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 263.160 |
logP | 2.954 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 24.5 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 76.2677 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |