MCULE-7626435111
- 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 | 27 USD | 97 | 20 working days | Get Quote |
5 mg | 27 USD | 97 | 20 working days | Get Quote |
10 mg | 27 USD | 97 | 20 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-7626435111.sdf |
SMILES | MCULE-7626435111.smiles |
Standard InChI | MCULE-7626435111.inchi |
InChIKey | MCULE-7626435111.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875761992 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590402208 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893511979 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 204 g |
P-851495908 | AmBeed | On request | N/A | As is | by synthesis |
P-489220451 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596960094 | Angene | Building Blocks in stock | 97 | As is | 200 g |
P-864131201 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-616198073 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901418433 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851300703 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868622312 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862029407 | FluoroChem | General BB | N/A | As is | in stock |
P-524189544 | Key Organics | Building Blocks | 95 | As is | 500 mg |
P-855996699 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-852438017 | Matrix Scientific | All | N/A | As is | in stock |
P-895267381 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611480314 | Toronto Research | In stock | 90 | As is | in stock |
P-575305362 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 233.306 |
logP | 2.0095 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 29.54 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 71.039 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 19 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |