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HPK1-IN-2

CAT: 0957-S6060-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S6060-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2056122-11-1
Target
Serine/threonin kinase
Applications
Cell Cycle
Smiles
CN1CCN (CC1) C2=CC=C3N=C ([NH]C3=C2) C4=C (N) C5=C (NC4=O) SC=C5
Molecular Formula
C19H20N6OS
Additionnal Information
HPK1-IN-2 is a potent and orally active inhibitor of hematopoietic progenitor kinase-1 (HPK1, a serine/threonine Ste20-related protein kinase), Lck and Flt3 with IC50 of <0.05 μM, IC50 of <0.5 μM and IC50 of <0.05 μM, respectively. HPK1-IN-2 exhibits antitumor activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Hpk1-IN-2
CAS Number2056122-11-1
PubChem CID137297852
IUPAC Name4-amino-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
Molecular FormulaC19H20N6OS
Molecular Weight380.5
XLogP1.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity634
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N
InChI
InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-13-14(10-11)22-17(21-13)15-16(20)12-4-9-27-19(12)23-18(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26)
InChIKey
WKFZMTSRRQSGEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-2
CAS: 2056122-11-1
CID: 137297852
Formula: C19H20N6OS
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass380.14193046
Monoisotopic Mass380.14193046
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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