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VH 032 amide-alkylC7-acid

CAT: 0013-GTR19219792Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219792Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VH 032 amide-alkylC7-acid is a functionalized VHL ligand for constructing PROTAC degraders. Its alkyl linker and terminal acid enable conjugation to target binders, facilitating the development of novel therapeutics. This tool compound is widely used in both in vitro and in vivo studies to investigate targeted protein degradation.
CAS Number
2172819-76-8
Field of Research
Pharmacology & Drug Discovery
Smiles
OC (CCCCCCCC (N[C@@H] (C (C) (C) C) C (N1[C@@H] (C[C@H] (C1) O) C (NCC2=CC=C (C3=C (C) N=CS3) C=C2) =O) =O) =O) =O
Molecular Formula
C31H44N4O6S
Molecular Weight
600.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S,R,S)-AHPC-amido-C7-acid
CAS Number2172819-76-8
PubChem CID134183994
IUPAC Name9-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononanoic acid
Molecular FormulaC31H44N4O6S
Molecular Weight600.8
XLogP4.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count42
Formal Charge0
Complexity920
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCC(=O)O)O
InChI
InChI=1S/C31H44N4O6S/c1-20-27(42-19-33-20)22-14-12-21(13-15-22)17-32-29(40)24-16-23(36)18-35(24)30(41)28(31(2,3)4)34-25(37)10-8-6-5-7-9-11-26(38)39/h12-15,19,23-24,28,36H,5-11,16-18H2,1-4H3,(H,32,40)(H,34,37)(H,38,39)/t23-,24+,28-/m1/s1
InChIKey
WBFMUQOHZVFNHP-FMGHJNRGSA-N
Chemical Structure
2D Structure
2D structure of (S,R,S)-AHPC-amido-C7-acid
CAS: 2172819-76-8
CID: 134183994
Formula: C31H44N4O6S
MW: 600.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.8
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass600.29815631
Monoisotopic Mass600.29815631
Topological Polar Surface Area177 Ų
Heavy Atom Count42
Formal Charge0
Complexity920
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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