MCULE-6812812243-0
- 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 | 5 USD | 95 | 8 working days | Get Quote |
5 mg | 5 USD | 95 | 8 working days | Get Quote |
10 mg | 5 USD | 95 | 8 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-6812812243-0.sdf |
SMILES | MCULE-6812812243-0.smiles |
Standard InChI | MCULE-6812812243-0.inchi |
InChIKey | MCULE-6812812243-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867587222 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875746150 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869182284 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505348248 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-606852825 | AmBeed | In stock | N/A | As is | in stock |
P-596931652 | Angene | Building Blocks in stock | 95 | As is | 5.5 kg |
P-864183742 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580699249 | BLD pharm | In-stock building blocks | 95 | As is | 3.375 kg |
P-893230863 | Biosynth | In Stock | 95 | As is | in stock |
P-874568298 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-868609850 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862056935 | FluoroChem | General BB | 98 | As is | in stock |
P-870655309 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
P-502563202 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-488544570 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13825828 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-524162016 | Key Organics | Building Blocks | 99 | As is | 1.005 g |
P-588718315 | Key Organics | Screening Compounds and Fragments | 99 | As is | 1.005 g |
P-613282395 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852580400 | Matrix Scientific | All | N/A | As is | in stock |
P-854737770 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-870987900 | Otava | In-House Stock Library | 90 | As is | 260 mg |
P-454364174 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-864648298 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-605208755 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885516285 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-890842193 | Rare Chemicals GmbH | In stock | 95 | As is | in stock |
P-596776673 | Synthonix | In-stock Building Blocks | 95 | As is | 27.225 kg |
P-611518496 | Toronto Research | In stock | 90 | As is | in stock |
P-855007126 | Toronto Research | In stock | 90 | As is | in stock |
P-855011896 | Toronto Research | In stock | 90 | As is | in stock |
P-855011897 | Toronto Research | In stock | 90 | As is | in stock |
P-3230157 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-2980965 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-666975113 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 100.076 |
logP | -0.5166 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 58.2 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 28.6434 |
Atoms | 11 |
Rings | 1 |
Heavy atoms | 7 |
Hydrogen atoms | 4 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |