MCULE-4269813571
- 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 | 20 USD | 98 | 16 working days | Get Quote |
5 mg | 20 USD | 98 | 16 working days | Get Quote |
10 mg | 20 USD | 98 | 16 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-4269813571.sdf |
SMILES | MCULE-4269813571.smiles |
Standard InChI | MCULE-4269813571.inchi |
InChIKey | MCULE-4269813571.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867589415 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875748653 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-864159020 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-675211556 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-488543015 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-854571358 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-454363585 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-869175466 | TargetMol | Natural Products | 95 | As is | 300 mg |
P-611401766 | Toronto Research | In stock | 90 | As is | in stock |
P-615398070 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 316.477 |
logP | 4.5153 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 94.9728 |
Atoms | 55 |
Rings | 4 |
Heavy atoms | 23 |
Hydrogen atoms | 32 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 7 |
R/S chiral centers | 7 |
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 |