MCULE-3253735546
- 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 | 72 USD | 95 | 10 working days | Get Quote |
5 mg | 72 USD | 95 | 10 working days | Get Quote |
10 mg | 72 USD | 95 | 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-4188227379
- Component type: Main
-
MCULE-6512775465
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3253735546.sdf |
SMILES | MCULE-3253735546.smiles |
Standard InChI | MCULE-3253735546.inchi |
InChIKey | MCULE-3253735546.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860639627 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-615719497 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851578355 | AmBeed | On request | N/A | As is | by synthesis |
P-596498469 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596464465 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590829959 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577173387 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-488546994 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13731199 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-852402905 | Matrix Scientific | All | N/A | As is | in stock |
P-864022991 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454370890 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-19059911 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502333520 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611591513 | Toronto Research | In stock | 90 | As is | in stock |
P-3238427 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 3.094 g |
P-875843173 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-851877159 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611211126 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-492251615 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
P-868570072 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-862057739 | FluoroChem | General BB | 95 | As a main component | in stock |
P-855950023 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
P-895642498 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611396856 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893675814 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 196.675 |
logP | 3.1686 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 29.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.4984 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |