MCULE-5511635386
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 62 USD | 95 | 10 working days | Get Quote |
10 mg | 85 USD | 95 | 10 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-5511635386.sdf |
SMILES | MCULE-5511635386.smiles |
Standard InChI | MCULE-5511635386.inchi |
InChIKey | MCULE-5511635386.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892859388 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890151943 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590406008 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893539673 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 16.76 g |
P-851872568 | AmBeed | On request | N/A | As is | by synthesis |
P-900245733 | Angene | Building Blocks in stock | N/A | As is | 8.38 g |
P-591012770 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-868631681 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580343685 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-454380304 | Key Organics | Building Blocks | 95 | As is | 4.387 g |
P-18728307 | Key Organics | Screening Compounds and Fragments | 95 | As is | 4.387 g |
P-854839032 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12954046 | Otava | In-House Stock Library | 90 | As is | 600 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 208.171 |
logP | 1.5382 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 75.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.984 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 8 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |