MCULE-5752417904
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-5752417904.sdf |
SMILES | MCULE-5752417904.smiles |
Standard InChI | MCULE-5752417904.inchi |
InChIKey | MCULE-5752417904.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889952554 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869241028 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436464524 | Alinda | Building Blocks | 95 | As is | 80 g |
P-851893871 | AmBeed | On request | N/A | As is | by synthesis |
P-591046997 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454721022 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868636349 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862067891 | FluoroChem | General BB | N/A | As is | in stock |
P-596590277 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852446054 | Matrix Scientific | All | N/A | As is | in stock |
P-854832650 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885525508 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-424926967 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855353805 | Toronto Research | In stock | 90 | As is | in stock |
P-3234308 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.9 g |
P-2991336 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.9 g |
Property | Value |
---|---|
Components | 1 |
Mass | 185.263 |
logP | 1.3618 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 29.54 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.166 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 19 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |