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PROTAC IRAK4 ligand-5

CAT: 0013-GTR19240546-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240546-01Size:50 mg
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Description
PROTAC IRAK4 ligand-5 is a key component for synthesizing the heterobifunctional degrader KT-413. This small molecule ligand enables the study of IRAK4's role in oncology and immunology research, facilitating both in vitro and in vivo experimental applications.
CAS Number
2654056-24-1
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (C) (C) (O) C=1C=C2C (=CC1NC (=O) C=3N=C (C (F) (F) F) C=CC3) SC (=N2) [C@@H]4CC[C@@H] (C=O) CC4
Molecular Formula
C24H24F3N3O3S
Molecular Weight
491.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC IRAK4 ligand-5
CAS Number2654056-24-1
PubChem CID156503867
IUPAC NameN-[2-(4-formylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.5
XLogP4.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity745
SMILES
CC(C)(C1=CC2=C(C=C1NC(=O)C3=NC(=CC=C3)C(F)(F)F)SC(=N2)C4CCC(CC4)C=O)O
InChI
InChI=1S/C24H24F3N3O3S/c1-23(2,33)15-10-18-19(34-22(30-18)14-8-6-13(12-31)7-9-14)11-17(15)29-21(32)16-4-3-5-20(28-16)24(25,26)27/h3-5,10-14,33H,6-9H2,1-2H3,(H,29,32)
InChIKey
QTSXGNYKCBORRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC IRAK4 ligand-5
CAS: 2654056-24-1
CID: 156503867
Formula: C24H24F3N3O3S
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass491.14904730
Monoisotopic Mass491.14904730
Topological Polar Surface Area120 Ų
Heavy Atom Count34
Formal Charge0
Complexity745
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
GTR19240454-01PROTAC IRAK4 ligand-4
GTR19218640-01PROTAC IRAK4 ligand-3
GTR19222240-01PROTAC IRAK4 degrader-5
GTR19222237-01PROTAC IRAK4 degrader-3
GTR19226849-01PROTAC IRAK4 degrader-1
GTR19221536-01PROTAC IRAK4 degrader-2
GTR19240201-01PROTAC IRAK4 degrader-12
GTR19234058-01PROTAC IRAK4 degrader-10
GTR19264215-01PROTAC IRAK4 degrader-13
GTR19262646-01PROTAC IRAK4 degrader-11

Alternative Products

CatalogName
HY-168311PROTAC IRAK4 ligand-5
T81378-01PROTAC IRAK4 ligand-3
HY-129967-01PROTAC IRAK4 ligand-1
HY-168611PROTAC IRAK4 ligand-4
HY-139316PROTAC IRAK4 degrader-5
T211884-01PROTAC IRAK4 degrader-13
T88159-01PROTAC IRAK4 degrader-10
T39901-01PROTAC IRAK4 degrader-4
MBS5800292PROTAC IRAK4 degrader-3
MBS5820758PROTAC IRAK4 degrader-8

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