Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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W418012-1mg
|
1mg |
3
|
$100.90
|
|
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W418012-5mg
|
5mg |
3
|
$334.90
|
|
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W418012-10mg
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10mg |
3
|
$500.90
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|
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W418012-25mg
|
25mg |
3
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$1,000.90
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|
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W418012-50mg
|
50mg |
2
|
$1,600.90
|
|
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W418012-100mg
|
100mg |
3
|
$2,567.90
|
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| Synonyms | 2-{[5,6-Bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}ethanol |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Chk1 inhibitor; Chk1 inhibitor; Aurora kinase inhibitor; Adenosine Kinase inhibitor; |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Furans |
| Subclass | Diphenylfurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,3-diphenylfurans |
| Alternative Parents | Furo[2,3-d]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,3-diphenylfuran - Furo[2,3-d]pyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Alkanolamine - Ether - Oxacycle - Azacycle - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,3-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C3-positions. |
| External Descriptors | ethanolamines - furopyrimidine |
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| ALogP | 3.657 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 7 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Pubchem Sid | 504760671 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760671 |
| IUPAC Name | 2-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]ethanol |
| INCHI | InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25) |
| InChIKey | ARBUGBBNEFAECO-UHFFFAOYSA-N |
| Smiles | COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC |
| PubChem CID | 2059510 |
| Molecular Weight | 391.42 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 20, 2022 | W418012 | |
| Certificate of Analysis | Sep 20, 2022 | W418012 | |
| Certificate of Analysis | Sep 20, 2022 | W418012 | |
| Certificate of Analysis | Sep 20, 2022 | W418012 | |
| Certificate of Analysis | Sep 20, 2022 | W418012 | |
| Certificate of Analysis | Sep 20, 2022 | W418012 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 391.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 391.153 Da |
| Monoisotopic Mass | 391.153 Da |
| Topological Polar Surface Area | 89.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 494.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |