MCULE-2296043809
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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.
Name | File |
---|---|
SDF | MCULE-2296043809.sdf |
SMILES | MCULE-2296043809.smiles |
Standard InChI | MCULE-2296043809.inchi |
InChIKey | MCULE-2296043809.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892867021 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889936366 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-590387987 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851478548 | AmBeed | On request | N/A | As is | by synthesis |
P-590856624 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577179574 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861429529 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855940116 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-588249722 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852607311 | Matrix Scientific | All | N/A | As is | in stock |
P-854832045 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-520027287 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855215312 | Toronto Research | In stock | 90 | As is | in stock |
P-2516482 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 20 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 237.256 |
logP | 2.5172 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 47.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 68.7765 |
Atoms | 29 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |