MCULE-7974523678
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-7974523678.sdf |
SMILES | MCULE-7974523678.smiles |
Standard InChI | MCULE-7974523678.inchi |
InChIKey | MCULE-7974523678.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852118872 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889945244 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894644125 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34858433 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436473367 | Alinda | Building Blocks | 95 | As is | in stock |
P-851733867 | AmBeed | On request | N/A | As is | by synthesis |
P-591045364 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454733332 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861529740 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862070004 | FluoroChem | General BB | N/A | As is | in stock |
P-503895942 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-596593331 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588250726 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852533289 | Matrix Scientific | All | N/A | As is | in stock |
P-854791543 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19625632 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491121889 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502374450 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888447588 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855325805 | Toronto Research | In stock | 90 | As is | in stock |
P-464680641 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.75 g |
P-35092778 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.75 g |
Property | Value |
---|---|
Components | 1 |
Mass | 318.207 |
logP | 4.0665 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.1877 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 16 |
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 |