MCULE-2503008110
- 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 | 6 USD | N/A | 14 working days | Get Quote |
5 mg | 6 USD | N/A | 14 working days | Get Quote |
10 mg | 6 USD | N/A | 14 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.
-
MCULE-6510059070
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2503008110.sdf |
SMILES | MCULE-2503008110.smiles |
Standard InChI | MCULE-2503008110.inchi |
InChIKey | MCULE-2503008110.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886541347 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890142976 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851946199 | AmBeed | In stock | N/A | As is | in stock |
P-596982498 | Angene | Building Blocks in stock | 95 | As is | 40 g |
P-864195616 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580271612 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-500400235 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-500410494 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-611353530 | Toronto Research | In stock | 90 | As is | in stock |
P-612843892 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
P-889946947 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-851420297 | AmBeed | On request | N/A | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 160.171 |
logP | 0.0141 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 92.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 38.4369 |
Atoms | 23 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |