MCULE-9854332110
- 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 | 90 | 22 working days | Get Quote |
5 mg | 97 USD | 95 | 9 working days | Get Quote |
10 mg | 193 USD | 95 | 9 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-9854332110.sdf |
SMILES | MCULE-9854332110.smiles |
Standard InChI | MCULE-9854332110.inchi |
InChIKey | MCULE-9854332110.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867627109 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
P-875790097 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869224990 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893591779 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 110 mg |
P-580235865 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851686737 | AmBeed | On request | N/A | As is | by synthesis |
P-888818487 | Angene | Building Blocks in stock | 98 | As is | 5 mg |
P-864329315 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-893297390 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
P-590902093 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-893228415 | Biosynth | In Stock | 95 | As is | in stock |
P-881628779 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-887189190 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-873244132 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-863737743 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-871067111 | MedKoo | In stock compounds | 95 | As is | in stock |
P-896087636 | Specs | Natural Products | 80 | As is | 3 mg |
P-892302253 | TargetMol | Natural Products | 95 | As is | in stock |
P-869109510 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888628108 | TargetMol | Screening Compounds - stock amount | 95 | As is | 169 mg |
P-611481677 | Toronto Research | In stock | 90 | As is | in stock |
P-894013375 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 330.288 |
logP | 2.594 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 109.36 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 86.973 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |