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PKM2 modulator 2

CAT: 0013-GTR19249691-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249691-02Size:50 mg
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Description
Compound C599 is a potent and selective PKM2 modulator with demonstrated antiproliferative and pro-apoptotic activity in vitro. Its application is primarily in cancer research, particularly for investigating metabolic targeting strategies in glioblastoma models.
CAS Number
1356760-50-3
Field of Research
Cell Biology, Metabolism Research
Smiles
FC1=CC=C (OCC2=NN=C (O2) C=3C=NC=4ON=C (C=5C=CC=CC5) C4C3) C=C1
Molecular Formula
C21H13FN4O3
Molecular Weight
388.351
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PKM2 modulator 2
CAS Number1356760-50-3
PubChem CID56803912
IUPAC Name5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
Molecular FormulaC21H13FN4O3
Molecular Weight388.4
XLogP3.7
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity530
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C=C(C=N3)C4=NN=C(O4)COC5=CC=C(C=C5)F
InChI
InChI=1S/C21H13FN4O3/c22-15-6-8-16(9-7-15)27-12-18-24-25-20(28-18)14-10-17-19(13-4-2-1-3-5-13)26-29-21(17)23-11-14/h1-11H,12H2
InChIKey
HQFFFVPSUMACPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PKM2 modulator 2
CAS: 1356760-50-3
CID: 56803912
Formula: C21H13FN4O3
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass388.09716845
Monoisotopic Mass388.09716845
Topological Polar Surface Area87.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity530
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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