MCULE-5935694924
- 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 | 120 USD | 95 | 10 working days | Get Quote |
5 mg | 120 USD | 95 | 10 working days | Get Quote |
10 mg | 221 USD | 95 | 10 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-5935694924.sdf |
SMILES | MCULE-5935694924.smiles |
Standard InChI | MCULE-5935694924.inchi |
InChIKey | MCULE-5935694924.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-610989551 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 74.397 g |
P-851315002 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861382002 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854713605 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871065693 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888170103 | Molnova | On demand | 98 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 420.460 |
logP | 2.44758 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 109.29 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 119.0324 |
Atoms | 55 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 24 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |