MCULE-8811021840
- 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 | 8 USD | 95 | 20 working days | Get Quote |
5 mg | 8 USD | 95 | 20 working days | Get Quote |
10 mg | 8 USD | 95 | 20 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-8811021840.sdf |
SMILES | MCULE-8811021840.smiles |
Standard InChI | MCULE-8811021840.inchi |
InChIKey | MCULE-8811021840.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867638110 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875803519 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869197126 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610964886 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 247.3 g |
P-606872520 | AmBeed | In stock | N/A | As is | in stock |
P-596968235 | Angene | Building Blocks in stock | 95 | As is | 210.3 g |
P-589665017 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864110304 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584629499 | BLD pharm | In-stock building blocks | 95 | As is | 350 mg |
P-868555323 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862073135 | FluoroChem | General BB | N/A | As is | in stock |
P-855939309 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-854758680 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-19575643 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596772174 | Synthonix | In-stock Building Blocks | 95 | As is | 13.34 g |
P-611475127 | Toronto Research | In stock | 90 | As is | in stock |
P-1437077 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 185 mg |
P-666975059 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 198.151 |
logP | 2.0076 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 74.92 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 48.2182 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 7 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |