MCULE-2761735829-0
- 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 | 98 | 20 working days | Get Quote |
5 mg | 6 USD | 98 | 20 working days | Get Quote |
10 mg | 6 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.
-
1
MCULE-4681690079-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2761735829-0.sdf |
SMILES | MCULE-2761735829-0.smiles |
Standard InChI | MCULE-2761735829-0.inchi |
InChIKey | MCULE-2761735829-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851540179 | AmBeed | On request | N/A | As is | by synthesis |
P-611032585 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-488551341 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24439087 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-454372323 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13947703 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-893085637 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-851709539 | AmBeed | On request | N/A | Main component | by synthesis |
P-596932043 | Angene | Building Blocks in stock | 98 | Main component | 1.437 kg |
P-864085727 | AstaTech | In Stock BBs | 97 | Main component | in stock |
P-605402382 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-851281441 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868641098 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-878649766 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 70 g |
P-890223474 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
P-502504407 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-611384677 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 181.621 |
logP | 2.2737 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 48.7837 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 8 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |