MCULE-1312010353-0
- 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 | 45 USD | 90 | 23 working days | Get Quote |
5 mg | 73 USD | 90 | 23 working days | Get Quote |
10 mg | 140 USD | 99 | 16 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-1929884120-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1312010353-0.sdf |
SMILES | MCULE-1312010353-0.smiles |
Standard InChI | MCULE-1312010353-0.inchi |
InChIKey | MCULE-1312010353-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867613332 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875773556 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874632856 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-851488254 | AmBeed | On request | N/A | As is | by synthesis |
P-864242628 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590830426 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-887198636 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-424209004 | Otava | In-House Stock Library | 90 | As is | 8 mg |
P-610965685 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 8 g |
P-888644830 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
P-869136561 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 175.615 |
logP | 0.8918 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 0 |
PSA | 60.94 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 46.9174 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 11 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |