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CLK1-IN-4

CAT: 0804-HY-400528-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-400528-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CLK1-IN-4 (Compound 79) is an inhibitor for CDC like kinase 1 (CLK-1) with IC50 of 1.5-2 μM[1].
CAS Number
332939-32-9
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/clk1-in-4.html
Purity
99.75
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
CCCC(NC(C1=CC=C2C=CC=NC2=C1O)C3=CC=CS3)=O
Molecular Formula
C18H18N2O2S
Molecular Weight
326.41
References & Citations
[1]Hekimi S, et al., Quinoline derivatives. WO2008014602.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Clk1-IN-4
CAS Number332939-32-9
PubChem CID3136124
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
Molecular FormulaC18H18N2O2S
Molecular Weight326.4
XLogP3.7
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
CCCC(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CS3
InChI
InChI=1S/C18H18N2O2S/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)
InChIKey
HQMZBXRQASJEMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clk1-IN-4
CAS: 332939-32-9
CID: 3136124
Formula: C18H18N2O2S
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass326.10889899
Monoisotopic Mass326.10889899
Topological Polar Surface Area90.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes