MCULE-2974683503
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-2974683503.sdf |
SMILES | MCULE-2974683503.smiles |
Standard InChI | MCULE-2974683503.inchi |
InChIKey | MCULE-2974683503.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867318186 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894617985 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851575699 | AmBeed | On request | N/A | As is | by synthesis |
P-590817157 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4037739 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-577181392 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-607714211 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-580089646 | Eximed | Building Block Catalog | 95 | As is | 1.6 g |
P-579804476 | Eximed | In-stock screening compounds | 90 | As is | 1.6 g |
P-870580277 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502979739 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488552960 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-14011245 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-596596875 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-864015916 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26440066 | Otava | In-House Stock Library | 90 | As is | 2.6 g |
P-617693657 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.6 g |
P-454373192 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-856069318 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 2.6 g |
P-424851582 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-35134765 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 117 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 239.272 |
logP | 2.3538 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 45.23 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 75.8562 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |