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CLK8

CAT: 0931-T73573Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T73573Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
898920-65-5
Target
Others
Related Pathways
Others
Purity
0.9803
Bioactivity
CLK8 is a selective CLOCK inhibitor that binds to and interferes with CLOCK activity, disrupts the interaction between CLOCK and BMAL1, and modulates circadian rhythm amplitude.CLK8 can be used to study circadian rhythm-related disorders.
Smiles
O=C1OC2=C(C(OCC(=O)NC=3C=CC=CC3C(=O)N)=CC=4OC(C)(C)CCC42)C(=C1)C=5C=CC=CC5
Molecular Formula
C29H26N2O6
Molecular Weight
498.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
CAS Number898920-65-5
PubChem CID4869040
IUPAC Name2-[[2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
Molecular FormulaC29H26N2O6
Molecular Weight498.5
XLogP4.4
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity910
SMILES
CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)NC4=CC=CC=C4C(=O)N)C(=CC(=O)O3)C5=CC=CC=C5)C
InChI
InChI=1S/C29H26N2O6/c1-29(2)13-12-19-22(37-29)15-23(35-16-24(32)31-21-11-7-6-10-18(21)28(30)34)26-20(14-25(33)36-27(19)26)17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3,(H2,30,34)(H,31,32)
InChIKey
SVELPNHVEDZZRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
CAS: 898920-65-5
CID: 4869040
Formula: C29H26N2O6
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass498.17908655
Monoisotopic Mass498.17908655
Topological Polar Surface Area117 Ų
Heavy Atom Count37
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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