MCULE-3003636441
- 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 | 45 USD | N/A | 10 working days | Get Quote |
5 mg | 141 USD | N/A | 10 working days | Get Quote |
10 mg | 259 USD | N/A | 10 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.
-
MCULE-8953654930
- Component type: Main
-
MCULE-6666021534
- Component type: Main
-
MCULE-7856922406
- Component type: Main
-
MCULE-7660741137
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3003636441.sdf |
SMILES | MCULE-3003636441.smiles |
Standard InChI | MCULE-3003636441.inchi |
InChIKey | MCULE-3003636441.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851249771 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580387295 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-870653079 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-852523230 | Matrix Scientific | All | N/A | As is | in stock |
P-888171176 | Molnova | On demand | 98 | As is | by synthesis |
P-888652832 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869156321 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-875756521 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-872725923 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
P-888622026 | Key Organics | Building Blocks | 95 | As a main component | 5 mg |
P-563615291 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
P-871077256 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-888641566 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869129132 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 339.387 |
logP | 0.483 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 10 |
PSA | 103.29 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 91.3562 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 25 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |