MCULE-6943277684
- 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 | 18 USD | 95 | 8 working days | Get Quote |
5 mg | 18 USD | 95 | 8 working days | Get Quote |
10 mg | 18 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-6943277684.sdf |
SMILES | MCULE-6943277684.smiles |
Standard InChI | MCULE-6943277684.inchi |
InChIKey | MCULE-6943277684.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-613852753 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606843259 | AmBeed | In stock | N/A | As is | in stock |
P-489143344 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-494332025 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864134454 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-481173327 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 494 g |
P-608390636 | BLD pharm | In-stock building blocks | 90 | As is | 40.35 g |
P-861980917 | FluoroChem | General BB | N/A | As is | in stock |
P-505496364 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454332561 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
P-579619677 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-890349316 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-852453186 | Matrix Scientific | All | N/A | As is | in stock |
P-519754272 | Maybridge | Maybridge Building Blocks | 97 | As is | 160.6 g |
P-428013243 | Maybridge | Screening Collection | 97 | As is | 160.6 kg |
P-854807795 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500400322 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-889864741 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502363215 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611365580 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 184.197 |
logP | 1.19808 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 54.5 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 50.486 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 8 |
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 |