MCULE-4892184412
- 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 | 5 USD | 97 | 8 working days | Get Quote |
5 mg | 5 USD | 97 | 8 working days | Get Quote |
10 mg | 5 USD | 97 | 8 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-8153309063
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4892184412.sdf |
SMILES | MCULE-4892184412.smiles |
Standard InChI | MCULE-4892184412.inchi |
InChIKey | MCULE-4892184412.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-597025394 | AEchem | Building blocks | 95 | As is | in stock |
P-617053778 | Allbio Pharm | Backorder | 97 | As is | by resynthesis (? - ? days) |
P-489165754 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-580721198 | BLD pharm | In-stock building blocks | 95 | As is | 146.25 g |
P-868645218 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-861973127 | FluoroChem | General BB | N/A | As is | in stock |
P-493678239 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-852496148 | Matrix Scientific | All | N/A | As is | in stock |
P-616203114 | BLD pharm | In-stock building blocks | 97 | As a main component | 131 g |
P-868639820 | Combi-Blocks | Building Block in stock | 97 | As a main component | in stock |
P-862027942 | FluoroChem | General BB | N/A | As a main component | in stock |
P-854746553 | MedChemExpress | In stock Building Blocks | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 171.237 |
logP | 2.069 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 63.32 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 47.7422 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |