MCULE-2017127107
- 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 | 95 | 10 working days | Get Quote |
5 mg | 35 USD | 95 | 10 working days | Get Quote |
10 mg | 35 USD | 95 | 10 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-6352118195
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2017127107.sdf |
SMILES | MCULE-2017127107.smiles |
Standard InChI | MCULE-2017127107.inchi |
InChIKey | MCULE-2017127107.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867601481 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875758811 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894630065 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851871335 | AmBeed | On request | N/A | As is | by synthesis |
P-611165545 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492255448 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4149746 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-861377734 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855947026 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-854791810 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424993623 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611598233 | Toronto Research | In stock | 90 | As is | in stock |
P-35084312 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 207 mg |
P-893667552 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886821774 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-901317281 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-899921126 | AmBeed | On request | N/A | As a main component | by synthesis |
P-868573431 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-893876481 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 207.272 |
logP | 1.7315 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 58.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.6351 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 17 |
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 |