MCULE-8992370691
- 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 | 23 USD | 98 | 19 working days | Get Quote |
5 mg | 23 USD | 98 | 19 working days | Get Quote |
10 mg | 23 USD | 98 | 19 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-8992370691.sdf |
SMILES | MCULE-8992370691.smiles |
Standard InChI | MCULE-8992370691.inchi |
InChIKey | MCULE-8992370691.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867671572 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875845187 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-590380909 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851924253 | AmBeed | In stock | N/A | As is | in stock |
P-489116765 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596986029 | Angene | Building Blocks in stock | 98 | As is | 1.69 kg |
P-584576689 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-271768 | Chemical Block | Screening Library | 90 | As is | 51 mg |
P-34710119 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-870646302 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-502588210 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563569493 | Key Organics | Building Blocks | 95 | As is | 10 g |
P-31194886 | LaboTest | Screening Collection | 90 | As is | 5 g |
P-856044831 | LaboTest | Building Blocks | 90 | As is | 5 g |
P-863733664 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871073861 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878640173 | Molnova | Stock | 98 | As is | in stock |
P-24053970 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617402527 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888626870 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869107839 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-502335824 | TimTec | Building Block Collection | 90 | As is | in stock |
P-33162986 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 500 mg |
P-2136990 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 795 mg |
P-868494021 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 303.316 |
logP | 0.313 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 100.35 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 88.185 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |