MCULE-5638156250
- 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 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-5638156250.sdf |
SMILES | MCULE-5638156250.smiles |
Standard InChI | MCULE-5638156250.inchi |
InChIKey | MCULE-5638156250.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886581957 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889913471 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869205094 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851594431 | AmBeed | On request | N/A | As is | by synthesis |
P-596481193 | Asinex | General bb catalog | 90 | As is | 145 mg |
P-596316795 | Asinex | General screening catalog | 90 | As is | 145 mg |
P-889802633 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611042847 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4433348 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-3378396 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-854850629 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-893871475 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 336.204 |
logP | 3.2586 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 71.5123 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |