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GDC-4379

CAT: 0013-GTR19185381-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185381-01Size:25 mg
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Description
GDC-4379
CAS Number
2252277-73-7
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
CN (C) C (=O) Cn1cc (NC (=O) c2cnn3cccnc23) c (n1) -c1cc (Cl) ccc1OC (F) F
Molecular Formula
C21H18ClF2N7O3
Molecular Weight
489.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gdc-4379
CAS Number2252277-73-7
PubChem CID135378781
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC21H18ClF2N7O3
Molecular Weight489.9
XLogP2.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity736
SMILES
CN(C)C(=O)CN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC(F)F)NC(=O)C3=C4N=CC=CN4N=C3
InChI
InChI=1S/C21H18ClF2N7O3/c1-29(2)17(32)11-30-10-15(27-20(33)14-9-26-31-7-3-6-25-19(14)31)18(28-30)13-8-12(22)4-5-16(13)34-21(23)24/h3-10,21H,11H2,1-2H3,(H,27,33)
InChIKey
QGVNXQDNNLLREZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gdc-4379
CAS: 2252277-73-7
CID: 135378781
Formula: C21H18ClF2N7O3
MW: 489.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight489.9
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass489.1127715
Monoisotopic Mass489.1127715
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity736
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