MCULE-7657076583-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-7657076583-0.sdf |
SMILES | MCULE-7657076583-0.smiles |
Standard InChI | MCULE-7657076583-0.inchi |
InChIKey | MCULE-7657076583-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892871905 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-890167281 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894659575 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851454111 | AmBeed | On request | N/A | As is | by synthesis |
P-579786676 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-611040376 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
P-4448817 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 9 mg |
P-449230334 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-861370394 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-454377935 | Key Organics | Building Blocks | 90 | As is | 3.056 g |
P-18701239 | Key Organics | Screening Compounds and Fragments | 90 | As is | 3.056 g |
P-852549006 | Matrix Scientific | All | N/A | As is | in stock |
P-854923732 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18935114 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22486144 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 102 mg |
P-855335789 | Toronto Research | In stock | 90 | As is | in stock |
P-676508380 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
P-467823 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 221.252 |
logP | 1.6788 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 55.4 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.1102 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |