MCULE-3368686638
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 51 USD | 97 | 15 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-3368686638.sdf |
SMILES | MCULE-3368686638.smiles |
Standard InChI | MCULE-3368686638.inchi |
InChIKey | MCULE-3368686638.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590372994 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-893592527 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 7.75 g |
P-606891214 | AmBeed | In stock | N/A | As is | in stock |
P-872696657 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-869375689 | BLD pharm | In-stock building blocks | 97 | As is | 2.425 g |
P-851305646 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868640301 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862050018 | FluoroChem | General BB | 98 | As is | in stock |
P-617819570 | InterBioScreen | Screening Compounds | 92 | As is | 180 mg |
P-580094303 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-852457942 | Matrix Scientific | All | N/A | As is | in stock |
P-854793017 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-1596903 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 15 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 277.315 |
logP | 2.9471 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 75.63 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 73.9975 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |