MCULE-6939828948
- 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 | 29 USD | 98 | 8 working days | Get Quote |
5 mg | 29 USD | 98 | 8 working days | Get Quote |
10 mg | 29 USD | 98 | 8 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-3221917674
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6939828948.sdf |
SMILES | MCULE-6939828948.smiles |
Standard InChI | MCULE-6939828948.inchi |
InChIKey | MCULE-6939828948.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886555904 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-590412910 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-869185765 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-868820075 | AmBeed | In stock | N/A | As is | in stock |
P-895927492 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-868955635 | BLD pharm | In-stock building blocks | 98 | As is | 6.5 g |
P-868615248 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-24174760 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-596568418 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-856045601 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31178106 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-863734721 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-896070290 | MedKoo | In stock compounds | 95 | As is | in stock |
P-893362265 | Otava | Fluoroscent Probes | N/A | As is | by synthesis |
P-13358068 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-675130200 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885536088 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502367777 | TimTec | Building Block Collection | 90 | As is | in stock |
P-617767343 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 460.307 |
logP | 1.0868 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 35.09 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 117.548 |
Atoms | 47 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 21 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |