MCULE-1842215754
- 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 | 37 USD | 90 | 19 working days | Get Quote |
5 mg | 54 USD | 90 | 19 working days | Get Quote |
10 mg | 68 USD | 90 | 19 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.
-
MCULE-6246108719
- Component type: Main
-
MCULE-5559802762
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1842215754.sdf |
SMILES | MCULE-1842215754.smiles |
Standard InChI | MCULE-1842215754.inchi |
InChIKey | MCULE-1842215754.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867458175 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894634326 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851907674 | AmBeed | On request | N/A | As is | by synthesis |
P-596511571 | Asinex | General bb catalog | 90 | As is | unavailable |
P-591049130 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-864031155 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19050098 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855216364 | Toronto Research | In stock | 90 | As is | in stock |
P-740271 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
P-867493953 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-851741929 | AmBeed | On request | N/A | As a main component | by synthesis |
P-851907612 | AmBeed | On request | N/A | As a main component | by synthesis |
P-892490313 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-611073812 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-591149267 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-674234887 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 57 mg |
P-868570232 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-34791899 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-852380448 | Matrix Scientific | All | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 239.310 |
logP | 2.2192 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 39.72 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.5067 |
Atoms | 38 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 21 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |