MCULE-9027923684
- 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 | 148 USD | 95 | 25 working days | Get Quote |
5 mg | 148 USD | 95 | 25 working days | Get Quote |
10 mg | 148 USD | 95 | 25 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-9027923684.sdf |
SMILES | MCULE-9027923684.smiles |
Standard InChI | MCULE-9027923684.inchi |
InChIKey | MCULE-9027923684.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886612821 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890158046 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613849484 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851588541 | AmBeed | On request | N/A | As is | by synthesis |
P-489242155 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-494437817 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864281802 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590921149 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-619929500 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-851324646 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580376538 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-889421980 | FluoroChem | General BB | N/A | As is | in stock |
P-864071190 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611580204 | Toronto Research | In stock | 90 | As is | in stock |
P-588732233 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-886920643 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 180.200 |
logP | 2.2138 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.0043 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |