MCULE-6951661315
- 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 | 119 USD | 95 | 22 working days | Get Quote |
5 mg | 119 USD | 95 | 22 working days | Get Quote |
10 mg | 119 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.
Name | File |
---|---|
SDF | MCULE-6951661315.sdf |
SMILES | MCULE-6951661315.smiles |
Standard InChI | MCULE-6951661315.inchi |
InChIKey | MCULE-6951661315.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886629889 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875814229 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869332419 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893600782 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3 g |
P-851817113 | AmBeed | On request | N/A | As is | by synthesis |
P-875890946 | Angene | Building Blocks in stock | 95 | As is | 1000 mg |
P-895954054 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889780357 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-611206421 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-887319018 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889324194 | FluoroChem | General BB | 97 | As is | in stock |
P-854852014 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888872365 | PharmaBlock | In stock | N/A | As is | in stock |
P-855218632 | Toronto Research | In stock | 90 | As is | in stock |
P-894006166 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 243.328 |
logP | 2.2471 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 75.02 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 65.8504 |
Atoms | 33 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 17 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |