MCULE-4836394991
- 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 | 18 USD | 90 | 14 working days | Get Quote |
5 mg | 27 USD | 90 | 14 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-4836394991.sdf |
SMILES | MCULE-4836394991.smiles |
Standard InChI | MCULE-4836394991.inchi |
InChIKey | MCULE-4836394991.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852072688 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
P-901185292 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894679356 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851638184 | AmBeed | On request | N/A | As is | by synthesis |
P-596372489 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590852670 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-893260345 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-7465534 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-13019628 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-454415768 | Key Organics | Building Blocks | 90 | As is | 108 mg |
P-18784243 | Key Organics | Screening Compounds and Fragments | 90 | As is | 108 mg |
P-852386127 | Matrix Scientific | All | N/A | As is | in stock |
P-864039718 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-579724201 | Menai Organics | Building blocks | 90 | As is | in stock |
P-579727651 | Menai Organics | Screening compounds | 90 | As is | in stock |
P-13328777 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-424806570 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-520025075 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502329824 | TimTec | Building Block Collection | 90 | As is | in stock |
P-873063619 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-33565238 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855301188 | Toronto Research | In stock | 90 | As is | in stock |
P-2434589 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 124 mg |
P-424771043 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 33 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 269.324 |
logP | 3.3025 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 85.93 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 76.2077 |
Atoms | 30 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
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 |