MCULE-8685001700-2
- 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 | 9 USD | 95 | 15 working days | Get Quote |
5 mg | 9 USD | 95 | 15 working days | Get Quote |
10 mg | 9 USD | 95 | 15 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-8685001700-2.sdf |
SMILES | MCULE-8685001700-2.smiles |
Standard InChI | MCULE-8685001700-2.inchi |
InChIKey | MCULE-8685001700-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-890139760 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590360331 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34854607 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436469963 | Alinda | Building Blocks | 95 | As is | 20 g |
P-606896633 | AmBeed | In stock | N/A | As is | in stock |
P-865904112 | Angene | Building Blocks in stock | 95 | As is | 178 g |
P-889568673 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-889750105 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 19 g |
P-605419099 | BLD pharm | In-stock building blocks | 95 | As is | 54.1 g |
P-454723484 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868632782 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-854062365 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-852448965 | Matrix Scientific | All | N/A | As is | in stock |
P-854804450 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454374194 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-864654805 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-579412421 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889853129 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888596012 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-25730018 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.005 g |
P-464689193 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.005 g |
P-886892857 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 85.065 |
logP | -0.4897 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 61.8 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 18.4057 |
Atoms | 9 |
Rings | 1 |
Heavy atoms | 6 |
Hydrogen atoms | 3 |
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 |