MCULE-3682936429
- 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 | 5 USD | 95 | 14 working days | Get Quote |
5 mg | 5 USD | 95 | 14 working days | Get Quote |
10 mg | 5 USD | 95 | 14 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-2864158723
- Component type: Main
-
1
MCULE-6475627950
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3682936429.sdf |
SMILES | MCULE-3682936429.smiles |
Standard InChI | MCULE-3682936429.inchi |
InChIKey | MCULE-3682936429.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875705052 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869190316 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505395124 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893520366 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 184.536 kg |
P-606904930 | AmBeed | In stock | N/A | As is | in stock |
P-489151145 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596940449 | Angene | Building Blocks in stock | 98 | As is | 75 g |
P-895937264 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864107150 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893235580 | Biosynth | In Stock | 95 | As is | in stock |
P-868592450 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-889111883 | FluoroChem | In Stock BB | 98 | As is | 4.132 kg |
P-505516452 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-580093217 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-454395124 | Key Organics | Building Blocks | 97 | As is | 50 g |
P-608081412 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
P-856029950 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-580513773 | Manchester Organics | Stock compounds | 97 | As is | 232 g |
P-852462528 | Matrix Scientific | All | N/A | As is | in stock |
P-854737828 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888862436 | PharmaBlock | In stock | N/A | As is | in stock |
P-500412194 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-613814418 | Spirochem | All | 95 | As is | in stock |
P-596792392 | Synthonix | In-stock Building Blocks | 95 | As is | 515.65 g |
P-611396745 | Toronto Research | In stock | 90 | As is | in stock |
P-854647238 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 521.381 |
logP | 5.416 |
H-bond acceptors | 8 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 89.73 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 127.337 |
Atoms | 60 |
Rings | 5 |
Heavy atoms | 33 |
Hydrogen atoms | 27 |
Heteroatoms | 16 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 6 |
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 |