MCULE-6123921584
- 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 | 119 USD | 95 | 18 working days | Get Quote |
5 mg | 119 USD | 95 | 18 working days | Get Quote |
10 mg | 119 USD | 95 | 18 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-6123921584.sdf |
SMILES | MCULE-6123921584.smiles |
Standard InChI | MCULE-6123921584.inchi |
InChIKey | MCULE-6123921584.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872812478 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889996310 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-893508308 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.032 g |
P-851899722 | AmBeed | On request | N/A | As is | by synthesis |
P-889803604 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591168473 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-861396977 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862130141 | FluoroChem | General BB | 95 | As is | in stock |
P-502443228 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502530940 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-14058752 | Life Chemicals | Building Blocks | 95 | As is | 5.027 g |
P-601052260 | Life Chemicals | Screening Compounds | 90 | As is | 5.027 g |
P-895262776 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855251648 | Toronto Research | In stock | 90 | As is | in stock |
P-893782102 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 234.298 |
logP | 1.998 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 63.57 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.2947 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |