MCULE-3859614034-0
- 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 | 13 USD | 98 | 22 working days | Get Quote |
5 mg | 13 USD | 98 | 22 working days | Get Quote |
10 mg | 13 USD | 98 | 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.
-
1
MCULE-6572487779-0
- Component type: Counter Ion
-
1
MCULE-1152750770-0
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-3859614034-0.sdf |
SMILES | MCULE-3859614034-0.smiles |
Standard InChI | MCULE-3859614034-0.inchi |
InChIKey | MCULE-3859614034-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872839104 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875867617 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874655375 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893569884 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 61 g |
P-872713058 | AmBeed | In stock | N/A | As is | in stock |
P-868835729 | Angene | Building Blocks in stock | 97 | As is | 66 g |
P-889590060 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-872717173 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-887323005 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-895600882 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873281210 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-893965875 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 155.179 |
logP | 0.9237 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 0 |
PSA | 138.64 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 33.3833 |
Atoms | 18 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 9 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |