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LDC3140

CAT: 0931-T27805-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27805-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1453833-30-1
Target
Others, CDK
Related Pathways
Cell Cycle/Checkpoint, Others
Bioactivity
LDC3140 is a potent inhibitor of Cyclin-dependent kinase 7 (CDK7) .
Smiles
N(CC1=C(N(C)C)C=CC=C1)C=2N3C(=C(C(C)C)C=N3)N=C(OC4CCN(C)CC4)N2
Molecular Formula
C23H33N7O
Molecular Weight
423.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CAS Number1453833-30-1
PubChem CID71731769
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular FormulaC23H33N7O
Molecular Weight423.6
XLogP4.1
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity554
SMILES
CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N(C)C)OC4CCN(CC4)C
InChI
InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
InChIKey
JYPAWUMVEPMZMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CAS: 1453833-30-1
CID: 71731769
Formula: C23H33N7O
MW: 423.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight423.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass423.27465870
Monoisotopic Mass423.27465870
Topological Polar Surface Area70.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity554
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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