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NCC007

CAT: 0931-T7949-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T7949-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2342583-66-6
Target
Casein Kinase
Related Pathways
Metabolism, Stem Cells
Purity
0.9888
Bioactivity
NCC007 is a novel CKIα and CKIδ dual inhibitors by structural modification of N9 and C2 position of longdaysin.
Smiles
CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12
Molecular Formula
C22H28F3N7
Molecular Weight
447.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-(1-Cyclopropylethyl)-N2-(2-(dimethylamino)ethyl)-N6-(3-(trifluoromethyl)benzyl)-9H-purine-2,6-diamine
CAS Number2342583-66-6
PubChem CID138403252
IUPAC Name9-(1-cyclopropylethyl)-2-N-[2-(dimethylamino)ethyl]-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
Molecular FormulaC22H28F3N7
Molecular Weight447.5
XLogP4.2
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity601
SMILES
CC(C1CC1)N2C=NC3=C(N=C(N=C32)NCCN(C)C)NCC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C22H28F3N7/c1-14(16-7-8-16)32-13-28-18-19(29-21(30-20(18)32)26-9-10-31(2)3)27-12-15-5-4-6-17(11-15)22(23,24)25/h4-6,11,13-14,16H,7-10,12H2,1-3H3,(H2,26,27,29,30)
InChIKey
GHRNSZVMIARHIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(1-Cyclopropylethyl)-N2-(2-(dimethylamino)ethyl)-N6-(3-(trifluoromethyl)benzyl)-9H-purine-2,6-diamine
CAS: 2342583-66-6
CID: 138403252
Formula: C22H28F3N7
MW: 447.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass447.23582841
Monoisotopic Mass447.23582841
Topological Polar Surface Area70.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
STD58366NCC007

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