MCULE-1412243356
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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.
-
1
MCULE-7314786854
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1412243356.sdf |
SMILES | MCULE-1412243356.smiles |
Standard InChI | MCULE-1412243356.inchi |
InChIKey | MCULE-1412243356.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612872256 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-851632312 | AmBeed | On request | N/A | As is | by synthesis |
P-892494817 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-611095108 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-616227584 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-5646106 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
P-868569136 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862059704 | FluoroChem | General BB | N/A | As is | in stock |
P-855952035 | Key Organics | Building Blocks | 95 | As is | 5 g |
P-852383924 | Matrix Scientific | All | N/A | As is | in stock |
P-864061274 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-617597718 | Specs | Screening Compounds | 90 | As is | 97 mg |
P-873216033 | TimTec | Building Block Collection | 90 | As is | in stock |
P-617758455 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 94 mg |
P-867458970 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894642066 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851443988 | AmBeed | On request | N/A | Main component | by synthesis |
P-596513953 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-590751905 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-889385176 | FluoroChem | General BB | 95 | Main component | in stock |
P-864026852 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-855228420 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 303.824 |
logP | 4.8151 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 89.6167 |
Atoms | 43 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 22 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |