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HPK1-IN-24

CAT: 0931-T60973-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60973-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2294966-07-5
Target
Others, MAPK
Related Pathways
Others, MAPK
Bioactivity
HPK1-IN-24 (example 51) is a hematopoietic progenitor kinase 1 (HPK1) inhibitor (Ki = 100 nM) with potential applications in cancer research [1].
Smiles
C(#N)C=1C=C2C(C(=NN2)C=3C=NN(C)C3)=CC1C4=C(C)C=CC=C4F
Molecular Formula
C19H14FN5
Molecular Weight
331.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hpk1-IN-24
CAS Number2294966-07-5
PubChem CID137545039
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)-1H-indazole-6-carbonitrile
Molecular FormulaC19H14FN5
Molecular Weight331.3
XLogP3.3
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity533
SMILES
CC1=C(C(=CC=C1)F)C2=CC3=C(C=C2C#N)NN=C3C4=CN(N=C4)C
InChI
InChI=1S/C19H14FN5/c1-11-4-3-5-16(20)18(11)14-7-15-17(6-12(14)8-21)23-24-19(15)13-9-22-25(2)10-13/h3-7,9-10H,1-2H3,(H,23,24)
InChIKey
KSWBAYVYDDFVFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-24
CAS: 2294966-07-5
CID: 137545039
Formula: C19H14FN5
MW: 331.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass331.12332363
Monoisotopic Mass331.12332363
Topological Polar Surface Area70.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity533
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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