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PCC0208017

CAT: 0013-GTR19188581-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188581-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PCC0208017
CAS Number
2623158-64-3
Product Name Alternative
Apoptosis, MARK3, MARK4, PCC 0208017, PCC0208017, PCC-0208017
Field of Research
Cell Biology
Purity
98.28% (May vary between batches)
Solubility
DMSO:112.5 mg/mL (278.88 mM)
Smiles
CN1CCc2cc (Nc3ncc (c (NCc4cc[nH]n4) n3) C (F) (F) F) ccc2C1
Molecular Formula
C19H20F3N7
Molecular Weight
403.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 163321087
CAS Number2623158-64-3
PubChem CID163321087
IUPAC Name2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-N-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
Molecular FormulaC19H20F3N7
Molecular Weight403.4
XLogP3
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity534
SMILES
CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(=N3)NCC4=CC=NN4)C(F)(F)F
InChI
InChI=1S/C19H20F3N7/c1-29-7-5-12-8-14(3-2-13(12)11-29)26-18-24-10-16(19(20,21)22)17(27-18)23-9-15-4-6-25-28-15/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,25,28)(H2,23,24,26,27)
InChIKey
PIESSZHWYCPHQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 163321087
CAS: 2623158-64-3
CID: 163321087
Formula: C19H20F3N7
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass403.17322815
Monoisotopic Mass403.17322815
Topological Polar Surface Area81.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity534
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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