MCULE-8673415133
- 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 | 8 USD | 97 | 8 working days | Get Quote |
5 mg | 8 USD | 97 | 8 working days | Get Quote |
10 mg | 8 USD | 97 | 8 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-8673415133.sdf |
SMILES | MCULE-8673415133.smiles |
Standard InChI | MCULE-8673415133.inchi |
InChIKey | MCULE-8673415133.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-881662215 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-590367440 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-425216107 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606855206 | AmBeed | In stock | N/A | As is | in stock |
P-596325590 | Asinex | General screening catalog | 90 | As is | 216 mg |
P-596488305 | Asinex | General bb catalog | 90 | As is | 216 mg |
P-864192248 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590601083 | BLD pharm | In-stock building blocks | 97 | As is | 186 g |
P-4487818 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-619930372 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-3390381 | ChemDiv | Discovery Chemistry Library | 90 | As is | 134 mg |
P-868612083 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-862147497 | FluoroChem | General BB | N/A | As is | in stock |
P-596593949 | Key Organics | Building Blocks | 90 | As is | 5 g |
P-31179133 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-856044851 | LaboTest | Building Blocks | 90 | As is | 2 g |
P-588254305 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-900010413 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-12350902 | Otava | In-House Stock Library | 90 | As is | 100 mg |
P-18852797 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885516484 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502366017 | TimTec | Building Block Collection | 90 | As is | in stock |
P-464682052 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.948 g |
P-35060540 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.948 g |
Property | Value |
---|---|
Components | 1 |
Mass | 213.188 |
logP | 1.19 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 59.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.7127 |
Atoms | 23 |
Rings | 3 |
Heavy atoms | 16 |
Hydrogen atoms | 7 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |