MCULE-2077919807
- 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 | 6 USD | N/A | 9 working days | Get Quote |
5 mg | 10 USD | 99 | 20 working days | Get Quote |
10 mg | 10 USD | 99 | 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.
-
MCULE-8534376696
- Component type: Main
-
MCULE-8319840019
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2077919807.sdf |
SMILES | MCULE-2077919807.smiles |
Standard InChI | MCULE-2077919807.inchi |
InChIKey | MCULE-2077919807.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-675239328 | Allbio Pharm | In stock | N/A | As is | in stock |
P-524169087 | Key Organics | Building Blocks | 99 | As is | 5 mg |
P-608083944 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-584620691 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608276190 | Molnova | Stock | 98 | As is | in stock |
P-889865233 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-894008450 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893965251 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-875836239 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-874629703 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
P-851443227 | AmBeed | On request | N/A | As a main component | by synthesis |
P-596974022 | Angene | Building Blocks in stock | 99 | As a main component | 25 g |
P-872724511 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
P-591151827 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-580759961 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-608220380 | Glentham Life Sciences | Compounds maintained in stock | 97 | As a main component | in stock |
P-855920827 | Key Organics | Building Blocks | 97 | As a main component | 250 mg |
P-579614472 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
P-608082951 | LabSeeker, Inc | Stock Collection | 99 | As a main component | in stock |
P-31196981 | LaboTest | Screening Collection | 90 | As a main component | 100 mg |
P-854900611 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-885544379 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-873033567 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 980 mg |
P-855354349 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893982250 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 473.439 |
logP | 1.1529 |
H-bond acceptors | 14 |
H-bond donors | 7 |
Rotatable bonds | 11 |
PSA | 219.84 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 126.5213 |
Atoms | 57 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 23 |
Heteroatoms | 14 |
N/O atoms | 14 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |