MCULE-7498402985
- 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 | 69 USD | 95 | 9 working days | Get Quote |
5 mg | 143 USD | 95 | 9 working days | Get Quote |
10 mg | 237 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.
-
MCULE-9964291308
- Component type: Main
-
MCULE-8944819379
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7498402985.sdf |
SMILES | MCULE-7498402985.smiles |
Standard InChI | MCULE-7498402985.inchi |
InChIKey | MCULE-7498402985.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893609024 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 8.1 g |
P-867715710 | AmBeed | In stock | N/A | As is | in stock |
P-863650275 | BLD pharm | In-stock building blocks | 95 | As is | unavailable |
P-854621795 | Excenen | Excenen compounds | 98 | As is | in stock |
P-888624552 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-878644517 | Molnova | Stock | 98 | As is | in stock |
P-869164142 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892300194 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888659375 | TargetMol | Screening Compounds - stock amount | 95 | As is | 204 mg |
P-893437970 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
P-900251844 | Angene | Building Blocks in stock | 95 | As a main component | 100 mg |
P-886856551 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-895182111 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 380.469 |
logP | 3.051 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 2 |
PSA | 122.28 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 118.1978 |
Atoms | 47 |
Rings | 5 |
Heavy atoms | 27 |
Hydrogen atoms | 20 |
Heteroatoms | 8 |
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 |