MCULE-3737293050
- 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 | 24 USD | 98 | 16 working days | Get Quote |
5 mg | 24 USD | 98 | 16 working days | Get Quote |
10 mg | 24 USD | 98 | 16 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.
-
1
MCULE-1763411393
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3737293050.sdf |
SMILES | MCULE-3737293050.smiles |
Standard InChI | MCULE-3737293050.inchi |
InChIKey | MCULE-3737293050.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869202968 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851670361 | AmBeed | On request | N/A | As is | by synthesis |
P-869395262 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591095265 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868564325 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-901407376 | FluoroChem | General BB | N/A | As is | in stock |
P-870652579 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-873249133 | Key Organics | Building Blocks | 97 | As is | 10 mg |
P-31194695 | LaboTest | Screening Collection | 90 | As is | 5 g |
P-856045475 | LaboTest | Building Blocks | 90 | As is | 5 g |
P-854718860 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-896626429 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-872675143 | MedKoo | In stock compounds | 95 | As is | in stock |
P-619672846 | Molnova | Stock | 98 | As is | in stock |
P-617403171 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
P-594274039 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892295662 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888656653 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 480.425 |
logP | 5.81 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 43.09 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 124.2618 |
Atoms | 60 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 33 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |