PROTAC IRAK4 ligand-5

CAT: 0931-T201571-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T201571-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2654056-24-1

Target

Ligands for Target Protein for PROTAC

Related Pathways

PROTAC

Bioactivity

PROTAC IRAK4 ligand-5, a ligand for the target protein of PROTAC, is instrumental in the synthesis of KT-413.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PROTAC IRAK4 ligand-5

CAS Number	2654056-24-1
PubChem CID	156503867
IUPAC Name	N-[2-(4-formylcyclohexyl)-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular Formula	C24H24F3N3O3S
Molecular Weight	491.5
XLogP	4.4
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	745

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

CAS: 2654056-24-1

CID: 156503867

Formula: C24H24F3N3O3S

MW: 491.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	491.5
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	491.14904730
Monoisotopic Mass	491.14904730
Topological Polar Surface Area	120 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	745
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T81378-01	PROTAC IRAK4 ligand-3
T201660-01	PROTAC IRAK4 ligand-4
T13843-01	PROTAC IRAK4 ligand-1
T39902-01	PROTAC IRAK4 degrader-5
T211884-01	PROTAC IRAK4 degrader-13
T88159-01	PROTAC IRAK4 degrader-10
T39901-01	PROTAC IRAK4 degrader-4
T74062-01	PROTAC IRAK4 degrader-2
T39903-01	PROTAC IRAK4 degrader-6
T209928-01	PROTAC IRAK4 degrader-11

Alternative Products

Catalog	Name
HY-168311	PROTAC IRAK4 ligand-5
GTR19240454-01	PROTAC IRAK4 ligand-4
HY-145484	PROTAC IRAK4 ligand-3
HY-129967-01	PROTAC IRAK4 ligand-1
GTR19222240-01	PROTAC IRAK4 degrader-5
MBS5800292	PROTAC IRAK4 degrader-3
MBS5820758	PROTAC IRAK4 degrader-8
BUP21150-01	PROTAC IRAK4 degrader-1
HY-139317	PROTAC IRAK4 degrader-6
GTR19221536-01	PROTAC IRAK4 degrader-2

PROTAC IRAK4 ligand-5

Chemical Information

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