MCULE-5120963209
- 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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 72 USD | 92 | 21 working days | Get Quote |
10 mg | 72 USD | 92 | 21 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-5120963209.sdf |
SMILES | MCULE-5120963209.smiles |
Standard InChI | MCULE-5120963209.inchi |
InChIKey | MCULE-5120963209.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867306471 | A2B Chem | Predominantly Building Block on demand | 92 | As is | by synthesis |
P-612936001 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851454376 | AmBeed | On request | N/A | As is | by synthesis |
P-596406727 | Asinex | General screening catalog | 90 | As is | 30 mg |
P-596492349 | Asinex | General bb catalog | 90 | As is | 30 mg |
P-590830229 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577177147 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-889385030 | FluoroChem | General BB | 95 | As is | in stock |
P-502484702 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504494421 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-852380859 | Matrix Scientific | All | N/A | As is | in stock |
P-864026633 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492275140 | Otava | Chemical Building Blocks for Prompt Delivery | 92 | As is | 986 mg |
P-12398766 | Otava | In-House Stock Library | 90 | As is | 986 mg |
P-873236872 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611601633 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 213.273 |
logP | 1.4377 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 57.61 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.6598 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |