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HaloPROTAC3

CAT: 0013-GTR19194383-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194383-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HaloPROTAC3 is a heterobifunctional degrader that targets HaloTag fusion proteins for proteasomal degradation. It is widely used in chemical biology and targeted protein degradation research, enabling precise protein knockdown in both cellular and in vivo experimental models.
CAS Number
1799506-07-2
Product Name Alternative
Ligand for E3 Ligase, LigandforE3Ligase, HaloPROTAC 3, HaloPROTAC3, HaloPROTAC-3, Halo PROTAC-3, VHL
Field of Research
Pharmacology & Drug Discovery
Purity
95.44% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (4.13 mM) ; DMSO:83.14 mg/mL (104 mM)
Smiles
[C@@H] (C (=O) N1[C@H] (C (NCC2=C (OCCOCCOCCOCCCCCCCl) C=C (C=C2) C3=C (C) N=CS3) =O) C[C@@H] (O) C1) (C (C) C) N4C (=O) C=5C (C4) =CC=CC5
Molecular Formula
C41H55ClN4O8S
Molecular Weight
799.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

HaloPROTAC3
CAS Number1799506-07-2
PubChem CID156597126
IUPAC Name(2S,4R)-N-[[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC41H55ClN4O8S
Molecular Weight799.4
XLogP4.9
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Heavy Atom Count55
Formal Charge0
Complexity1190
SMILES
CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O)OCCOCCOCCOCCCCCCCl
InChI
InChI=1S/C41H55ClN4O8S/c1-28(2)37(46-25-32-10-6-7-11-34(32)40(46)49)41(50)45-26-33(47)23-35(45)39(48)43-24-31-13-12-30(38-29(3)44-27-55-38)22-36(31)54-21-20-53-19-18-52-17-16-51-15-9-5-4-8-14-42/h6-7,10-13,22,27-28,33,35,37,47H,4-5,8-9,14-21,23-26H2,1-3H3,(H,43,48)/t33-,35+,37+/m1/s1
InChIKey
UABTZMQNIWDHGQ-JGNAJVFASA-N
Chemical Structure
2D Structure
2D structure of HaloPROTAC3
CAS: 1799506-07-2
CID: 156597126
Formula: C41H55ClN4O8S
MW: 799.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight799.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass798.3429136
Monoisotopic Mass798.3429136
Topological Polar Surface Area168 Ų
Heavy Atom Count55
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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