MCULE-2113983688
- 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 | 39 USD | 95 | 11 working days | Get Quote |
5 mg | 73 USD | 98 | 16 working days | Get Quote |
10 mg | 120 USD | 98 | 16 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.
-
1
MCULE-8943851999
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2113983688.sdf |
SMILES | MCULE-2113983688.smiles |
Standard InChI | MCULE-2113983688.inchi |
InChIKey | MCULE-2113983688.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867678031 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875855357 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869208698 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505401437 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-872727693 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-871216143 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861286790 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-868660795 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-524166842 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-872798397 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871071829 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878643860 | Molnova | Stock | 98 | As is | in stock |
P-869127022 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892291228 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888640220 | TargetMol | Screening Compounds - stock amount | 95 | As is | 145 mg |
P-886962010 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 282.721 |
logP | 2.5416 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 75.35 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 73.9885 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 15 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |