MCULE-3983422288
- 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 | 67 USD | 95 | 10 working days | Get Quote |
5 mg | 83 USD | 95 | 10 working days | Get Quote |
10 mg | 86 USD | 95 | 11 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-3983422288.sdf |
SMILES | MCULE-3983422288.smiles |
Standard InChI | MCULE-3983422288.inchi |
InChIKey | MCULE-3983422288.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875706653 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-595221274 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851667378 | AmBeed | On request | N/A | As is | by synthesis |
P-489231091 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-494346406 | Apollo Scientific | In Stock | 95 | As is | 1.98 g |
P-864212983 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591040620 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-868642631 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-454416721 | Key Organics | Building Blocks | 95 | As is | 165 mg |
P-454350880 | Key Organics | Screening Compounds and Fragments | 95 | As is | 165 mg |
P-31208097 | LaboTest | Screening Collection | 90 | As is | 500 mg |
P-580472781 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
P-852501525 | Matrix Scientific | All | N/A | As is | in stock |
P-428009366 | Maybridge | Screening Collection | 90 | As is | 1000 g |
P-854921264 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611408771 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 245.359 |
logP | 4.05328 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 44.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 76.527 |
Atoms | 41 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 23 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |