MCULE-5478984709
- 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 | 141 USD | 90 | 18 working days | Get Quote |
5 mg | 158 USD | 95 | 12 working days | Get Quote |
10 mg | 158 USD | 95 | 12 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-9476120675
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5478984709.sdf |
SMILES | MCULE-5478984709.smiles |
Standard InChI | MCULE-5478984709.inchi |
InChIKey | MCULE-5478984709.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-894680269 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893470663 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 469 mg |
P-851661373 | AmBeed | On request | N/A | As is | by synthesis |
P-864248784 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590865007 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861346752 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862111768 | FluoroChem | General BB | N/A | As is | in stock |
P-502530994 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596572921 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-601056325 | Life Chemicals | Screening Compounds | 90 | As is | 461 mg |
P-14060015 | Life Chemicals | Building Blocks | 95 | As is | 461 mg |
P-852508055 | Matrix Scientific | All | N/A | As is | in stock |
P-854778282 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-869403059 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-615633745 | LabNetwork | In stock | 95 | As a main component | in stock |
P-855215408 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 237.299 |
logP | 2.2388 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 56.4 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 70.9367 |
Atoms | 28 |
Rings | 3 |
Heavy atoms | 16 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
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 |