Products for Research Use Only
RegisterLogin

IMD-vanillin

CAT: 0013-GTR19212531-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19212531-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
IMD-vanillin is an imidazoquinolinone-based dimeric compound that acts as an immunomodulator by targeting the NF-κB pathway. It is utilized in biochemical research to study immune signaling and inflammation in both cellular and animal models.
CAS Number
2928463-38-9
Field of Research
Signal Transduction
Smiles
CCCCC1=NC2=C (N1CC3=CC=C (C=C3) CNC (=O) NCCCCCC (=O) NCC4=CC (=C (C=C4) O) OC) C5=CC=CC=C5N=C2N
Molecular Formula
C37H45N7O4
Molecular Weight
651.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

IMD-vanillin
CAS Number2928463-38-9
PubChem CID163323741
IUPAC Name6-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylcarbamoylamino]-N-[(4-hydroxy-3-methoxyphenyl)methyl]hexanamide
Molecular FormulaC37H45N7O4
Molecular Weight651.8
XLogP5.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count48
Formal Charge0
Complexity981
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CNC(=O)NCCCCCC(=O)NCC4=CC(=C(C=C4)O)OC)C5=CC=CC=C5N=C2N
InChI
InChI=1S/C37H45N7O4/c1-3-4-12-32-43-34-35(28-10-7-8-11-29(28)42-36(34)38)44(32)24-26-16-14-25(15-17-26)22-41-37(47)39-20-9-5-6-13-33(46)40-23-27-18-19-30(45)31(21-27)48-2/h7-8,10-11,14-19,21,45H,3-6,9,12-13,20,22-24H2,1-2H3,(H2,38,42)(H,40,46)(H2,39,41,47)
InChIKey
CAOWCHCEXLWZKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IMD-vanillin
CAS: 2928463-38-9
CID: 163323741
Formula: C37H45N7O4
MW: 651.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.8
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass651.35330294
Monoisotopic Mass651.35330294
Topological Polar Surface Area156 Ų
Heavy Atom Count48
Formal Charge0
Complexity981
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

Related Products

CatalogName
GTR19168144-01Vanillin
GTR19164289-01Vanillin
GTR19212746-01IMD-biphenylC
GTR19212530-01IMD-catechol
GTR19212485-01IMD-ferulic
GTR19174430-01IMD-0560
GTR19155155-01IMD-0560
GTR19160618-01IMD-0354
GTR19211393-01IMD-1622
GTR19212769-01IMD-biphenylA

Alternative Products

CatalogName
HY-139714IMD-vanillin
B3679-200Vanillin

Popular Products