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Sirtuin modulator 4

CAT: 0931-T72483-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72483-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
327104-77-8
Target
Others, Sirtuin
Related Pathways
DNA Damage/DNA Repair, Others, Chromatin/Epigenetic
Bioactivity
Sirtuin Modulator 4, a sirtuin modulator, exhibits an inhibitory effect on SIRT1, presenting an EC 50 value ranging from 51-100 μM. It is potentially useful in research aimed at prolonging cell lifespan and preventing a broad spectrum of diseases and disorders such as diabetes, obesity, neurodegenerative, cardiovascular diseases, inflammation, and cancer.
Smiles
C(C(=O)C1=CC=2C(O1)=CC=CC2)(C#N)C3=NC=4C(S3)=CC=CC4
Molecular Formula
C18H10N2O2S
Molecular Weight
318.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CAS Number327104-77-8
PubChem CID4292482
IUPAC Name3-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
Molecular FormulaC18H10N2O2S
Molecular Weight318.4
XLogP4.4
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity516
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H10N2O2S/c19-10-12(18-20-13-6-2-4-8-16(13)23-18)17(21)15-9-11-5-1-3-7-14(11)22-15/h1-9,12H
InChIKey
QKHIBBWTWNUTNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CAS: 327104-77-8
CID: 4292482
Formula: C18H10N2O2S
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass318.04629874
Monoisotopic Mass318.04629874
Topological Polar Surface Area95.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity516
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

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