MCULE-8647139942
- 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 | 38 USD | 98 | 20 working days | Get Quote |
5 mg | 38 USD | 98 | 20 working days | Get Quote |
10 mg | 38 USD | 98 | 20 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-3077042871
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8647139942.sdf |
SMILES | MCULE-8647139942.smiles |
Standard InChI | MCULE-8647139942.inchi |
InChIKey | MCULE-8647139942.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892853506 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890141968 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874640134 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-887311487 | AmBeed | In stock | N/A | As is | in stock |
P-873290034 | Angene | Building Blocks in stock | 98 | As is | 5 g |
P-889789290 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890245818 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-887322484 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-899782849 | Key Organics | Building Blocks | 97 | As is | 10 mg |
P-895197335 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-899991936 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-871076805 | MedKoo | In stock compounds | 95 | As is | in stock |
P-500408473 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-611434256 | Toronto Research | In stock | 90 | As is | in stock |
P-886902128 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-867420810 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
P-4230727 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 5 mg |
P-480349385 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 269.380 |
logP | 3.6626 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 12.47 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 84.07 |
Atoms | 43 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 23 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |