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Chemical structure of JAK2 JH2 Tracer

GC30083

JAK2 JH2 Tracer

Also known as 1-[[4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-1-methylthiourea

JAK2 JH2 Tracer is a fluorescent probe for the JAK2 JH2 domain, with Kd of 0·2 μM

ChemicalCAS2101955-00-2MW747.73FormulaC38H27F2N7O6S
CAS number
2101955-00-2
Molecular weight
747.73
Formula
C38H27F2N7O6S
Solubility
DMSO ： ≥ 83·3 mg/mL (111·40 mM)
InChIKey
OAJQEPALUDJGLJ-UHFFFAOYSA-N
Catalogue number
GC30083
Brand
GLPBIO
Computed properties PubChem CID 131704489 · XLogP 6.6 · TPSA 209 Ų · H-bond donors 5
XLogP
6.6
TPSA
209 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
6
Heavy atoms
54

SMILES CN(CC1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CC=C3F)F)C(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O

Computed descriptors from PubChem (CID 131704489), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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