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ARRY-371797

CAT: 0013-GTR19273131-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273131-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARRY-371797 is an orally bioactive and potent inhibitor of p38αMAPKBChE, with IC50 values of 0.13 μM for p38αMAPK, 12.0 μM for hBChE, and greater than 100 μM for hAChE. This compound shows potential for research in Alzheimer's disease.
CAS Number
3077831-12-7
Smiles
O=C (NCCN (C) C) C1=CC2=NN (C=C2C=C1OC3=CC=C (F) C=C3F) CC (C) C
Molecular Formula
C22H26F2N4O2
Molecular Weight
416.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)indazole-6-carboxamide
CAS Number3077831-12-7
PubChem CID176205167
IUPAC Name5-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)indazole-6-carboxamide
Molecular FormulaC22H26F2N4O2
Molecular Weight416.5
XLogP3.9
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity565
SMILES
CC(C)CN1C=C2C=C(C(=CC2=N1)C(=O)NCCN(C)C)OC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C22H26F2N4O2/c1-14(2)12-28-13-15-9-21(30-20-6-5-16(23)10-18(20)24)17(11-19(15)26-28)22(29)25-7-8-27(3)4/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,25,29)
InChIKey
JXLHBIAVUPWJJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)indazole-6-carboxamide
CAS: 3077831-12-7
CID: 176205167
Formula: C22H26F2N4O2
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 Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass416.20238241
Monoisotopic Mass416.20238241
Topological Polar Surface Area59.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity565
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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