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IDE-IN-2

CAT: 0013-GTR19236546-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236546-01Size:50 mg
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Description
IDE-IN-3 (Compound 4) is a small molecule inhibitor of Insulin-Degrading Enzyme (IDE) with predicted off-target activity against several enzymes and channels. Its potential research applications span anti-diabetic, anti-tumor, and antibacterial studies, as suggested by computational analyses, supporting its use in relevant in vitro biochemical assays.
CAS Number
49619-58-1
Smiles
O=CC1=COC2=CC=C (C=C2C1=O) C (C) C
Molecular Formula
C13H12O3
Molecular Weight
216.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Formyl-6-isopropylchromone
CAS Number49619-58-1
PubChem CID688711
IUPAC Name4-oxo-6-propan-2-ylchromene-3-carbaldehyde
Molecular FormulaC13H12O3
Molecular Weight216.23
XLogP2.3
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity330
SMILES
CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C=O
InChI
InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3
InChIKey
FRRYMYQANNFABF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Formyl-6-isopropylchromone
CAS: 49619-58-1
CID: 688711
Formula: C13H12O3
MW: 216.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.23
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass216.078644241
Monoisotopic Mass216.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity330
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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