MCULE-4055584693
- 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 | 30 USD | N/A | 35 working days | Get Quote |
5 mg | 30 USD | N/A | 35 working days | Get Quote |
10 mg | 30 USD | N/A | 35 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-4055584693.sdf |
SMILES | MCULE-4055584693.smiles |
Standard InChI | MCULE-4055584693.inchi |
InChIKey | MCULE-4055584693.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867644634 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875810615 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894631700 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851518790 | AmBeed | On request | N/A | As is | by synthesis |
P-590790579 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492269308 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-427962774 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-868569772 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862004167 | FluoroChem | General BB | N/A | As is | in stock |
P-563691618 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-852475985 | Matrix Scientific | All | N/A | As is | in stock |
P-854926332 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492278624 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.468 g |
P-12632041 | Otava | In-House Stock Library | 90 | As is | 1.468 g |
P-474037095 | Rieke Metals | Building Blocks | 97 | As is | in stock |
P-535671712 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
P-855226069 | Toronto Research | In stock | 90 | As is | in stock |
P-893670335 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 260.713 |
logP | 3.9697 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 72.6255 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |