MCULE-7104919263
- 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 | 172 USD | 95 | 42 working days | Get Quote |
5 mg | 172 USD | 95 | 42 working days | Get Quote |
10 mg | 172 USD | 95 | 42 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-7276253113
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7104919263.sdf |
SMILES | MCULE-7104919263.smiles |
Standard InChI | MCULE-7104919263.inchi |
InChIKey | MCULE-7104919263.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893084902 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-502473048 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-579676015 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-886963562 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-860654397 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-615718303 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-893430268 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
P-851832665 | AmBeed | On request | N/A | As a main component | by synthesis |
P-489208842 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-864273467 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-591003691 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
P-579676022 | LabSeeker, Inc | On demand Catalog | 95 | As a main component | by resynthesis (? - ? days) |
P-854953861 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-886920722 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 241.240 |
logP | 1.4971 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 91.01 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 60.1702 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 15 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |