MCULE-4566149676-0
- 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 | 175 USD | 95 | 42 working days | Get Quote |
5 mg | 175 USD | 95 | 42 working days | Get Quote |
10 mg | 175 USD | 95 | 42 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-4566149676-0.sdf |
SMILES | MCULE-4566149676-0.smiles |
Standard InChI | MCULE-4566149676-0.inchi |
InChIKey | MCULE-4566149676-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886601122 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-889922798 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869283030 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851842001 | AmBeed | On request | N/A | As is | by synthesis |
P-589658718 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889460481 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591085758 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-577179989 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868593842 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-855938115 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-854832735 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611577214 | Toronto Research | In stock | 90 | As is | in stock |
P-893695351 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 175.270 |
logP | 3.0567 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.3637 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 17 |
Heteroatoms | 1 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |