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DKFZ-251

CAT: 0013-GTR19210238-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210238-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DKFZ-251 is a selective and potent small molecule inhibitor of kallikrein-related peptidase 6 (KLK6) with demonstrated on-target cellular activity. This tool compound is useful for investigating KLK6 function in oncology and neurodegenerative disease research, both in vitro and in vivo.
CAS Number
2222059-70-1
Field of Research
Signal Transduction
Smiles
O=C (OCC (=O) NC=1C (=NN (C=2C=CC=CC2) C1C) C) CC=3C=4C=CC=CC4NC3C
Molecular Formula
C24H24N4O3
Molecular Weight
416.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(2-methyl-1H-indol-3-yl)acetate
CAS Number2222059-70-1
PubChem CID38335241
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
Molecular FormulaC24H24N4O3
Molecular Weight416.5
XLogP3.9
Topological Polar Surface Area89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C
InChI
InChI=1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)
InChIKey
OWHVQGGLXPNNBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(2-methyl-1H-indol-3-yl)acetate
CAS: 2222059-70-1
CID: 38335241
Formula: C24H24N4O3
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass416.18484064
Monoisotopic Mass416.18484064
Topological Polar Surface Area89 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
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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