MCULE-4696992338
- 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 | 7 USD | 98 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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-4696992338.sdf |
SMILES | MCULE-4696992338.smiles |
Standard InChI | MCULE-4696992338.inchi |
InChIKey | MCULE-4696992338.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867563542 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875722721 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869181342 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-579761621 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606850468 | AmBeed | In stock | N/A | As is | in stock |
P-596945923 | Angene | Building Blocks in stock | 98 | As is | 7.5 kg |
P-895956125 | Apollo Scientific | In Stock | 95 | As is | 571 g |
P-864183618 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580698855 | BLD pharm | In-stock building blocks | 98 | As is | 4.5 kg |
P-893228933 | Biosynth | In Stock | 95 | As is | in stock |
P-881633718 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868609023 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-870658631 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-524197249 | Key Organics | Building Blocks | 95 | As is | 1000 g |
P-855997233 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-579626162 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-31234317 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-856042544 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-613281722 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852510846 | Matrix Scientific | All | N/A | As is | in stock |
P-895223903 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-878643894 | Molnova | Stock | 98 | As is | in stock |
P-885535740 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892277536 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869179253 | TargetMol | Natural Products | 95 | As is | in stock |
P-892301209 | TargetMol | In Stock BB | 95 | As is | 1.026 g |
P-892353436 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.026 g |
P-22823967 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502366681 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611456488 | Toronto Research | In stock | 90 | As is | in stock |
P-893991510 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 166.173 |
logP | 1.5689 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 44.5515 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |