Products for Research Use Only
RegisterLogin

PROTAC IRAK4 ligand-3

CAT: 0931-T81378-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T81378-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2434848-46-9
Target
PROTACs, Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Bioactivity
PROTAC IRAK4 Ligand-3 serves as a ligand for PROTAC IRAK4 Degrader-7 and is utilized in cancer research [1].
Smiles
C(NC=1C(C(F)F)=NN(C1)[C@@H]2CC[C@@H](C=O)CC2)(=O)C3=C4N(C=CC(=N4)N5[C@@]6(C[C@](C5)(OC6)[H])[H])N=C3
Molecular Formula
C23H25F2N7O3
Molecular Weight
485.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC IRAK4 ligand-3
CAS Number2434848-46-9
PubChem CID146598958
IUPAC NameN-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC23H25F2N7O3
Molecular Weight485.5
XLogP1.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity801
SMILES
C1CC(CCC1C=O)N2C=C(C(=N2)C(F)F)NC(=O)C3=C4N=C(C=CN4N=C3)N5C[C@H]6C[C@@H]5CO6
InChI
InChI=1S/C23H25F2N7O3/c24-21(25)20-18(10-32(29-20)14-3-1-13(11-33)2-4-14)27-23(34)17-8-26-31-6-5-19(28-22(17)31)30-9-16-7-15(30)12-35-16/h5-6,8,10-11,13-16,21H,1-4,7,9,12H2,(H,27,34)/t13?,14?,15-,16-/m1/s1
InChIKey
FONMEYJFOROCKC-QDIHITRGSA-N
Chemical Structure
2D Structure
2D structure of PROTAC IRAK4 ligand-3
CAS: 2434848-46-9
CID: 146598958
Formula: C23H25F2N7O3
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass485.19869401
Monoisotopic Mass485.19869401
Topological Polar Surface Area107 Ų
Heavy Atom Count35
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T201571-01PROTAC IRAK4 ligand-5
T201660-01PROTAC IRAK4 ligand-4
T13843-01PROTAC IRAK4 ligand-1
T39920-01PROTAC IRAK4 degrader-3
T211884-01PROTAC IRAK4 degrader-13
T88159-01PROTAC IRAK4 degrader-10
T39901-01PROTAC IRAK4 degrader-4
T74062-01PROTAC IRAK4 degrader-2
T39903-01PROTAC IRAK4 degrader-6
T209928-01PROTAC IRAK4 degrader-11

Alternative Products

CatalogName
HY-145484PROTAC IRAK4 ligand-3
GTR19240454-01PROTAC IRAK4 ligand-4
HY-129967-01PROTAC IRAK4 ligand-1
HY-168311PROTAC IRAK4 ligand-5
MBS5800292PROTAC IRAK4 degrader-3
MBS5820758PROTAC IRAK4 degrader-8
BUP21150-01PROTAC IRAK4 degrader-1
HY-139317PROTAC IRAK4 degrader-6
GTR19240201-01PROTAC IRAK4 degrader-12
GTR19234058-01PROTAC IRAK4 degrader-10

Popular Products