MCULE-6088917331-0
- 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 | 7 USD | 97 | 8 working days | Get Quote |
5 mg | 7 USD | 97 | 8 working days | Get Quote |
10 mg | 7 USD | 97 | 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-6088917331-0.sdf |
SMILES | MCULE-6088917331-0.smiles |
Standard InChI | MCULE-6088917331-0.inchi |
InChIKey | MCULE-6088917331-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867582969 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-867676278 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875742295 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-875853608 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869192900 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505390019 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606894407 | AmBeed | In stock | N/A | As is | in stock |
P-895934224 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864152676 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580711034 | BLD pharm | In-stock building blocks | 97 | As is | 135 g |
P-868600613 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580304754 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-502528310 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454386330 | Key Organics | Building Blocks | 95 | As is | 24.358 g |
P-454287552 | Key Organics | Screening Compounds and Fragments | 95 | As is | 24.358 g |
P-31175046 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-856043764 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-596756866 | Synthonix | In-stock Building Blocks | 97 | As is | 5 kg |
P-502365622 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22534103 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611387194 | Toronto Research | In stock | 90 | As is | in stock |
P-588743013 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-575319030 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 153.568 |
logP | 1.6113 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 38.8987 |
Atoms | 14 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 4 |
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 |