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CIDD-0072424

CAT: 0013-GTR19262462-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262462-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CIDD-0072424 is a selective inhibitor of protein kinase C-epsilon (PKCε) in the central nervous system, with a Ki of 54 nM. It demonstrates a dose-dependent reduction in ethanol consumption and preference.
CAS Number
1620195-03-0
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
C (NC[C@@H] (N) C1CCC (C (NC=2C=CN=CC2) =O) CC1) (=O) C3 (CC3) C4=CC=C (Cl) C=C4
Molecular Formula
C24H29ClN4O2
Molecular Weight
440.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[(1S)-1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CAS Number1620195-03-0
PubChem CID90290853
IUPAC Name4-[(1S)-1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
Molecular FormulaC24H29ClN4O2
Molecular Weight441.0
XLogP2.5
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity619
SMILES
C1CC(CCC1[C@@H](CNC(=O)C2(CC2)C3=CC=C(C=C3)Cl)N)C(=O)NC4=CC=NC=C4
InChI
InChI=1S/C24H29ClN4O2/c25-19-7-5-18(6-8-19)24(11-12-24)23(31)28-15-21(26)16-1-3-17(4-2-16)22(30)29-20-9-13-27-14-10-20/h5-10,13-14,16-17,21H,1-4,11-12,15,26H2,(H,28,31)(H,27,29,30)/t16?,17?,21-/m1/s1
InChIKey
JJOUMAYNGPIIEJ-MYKUNDNFSA-N
Chemical Structure
2D Structure
2D structure of 4-[(1S)-1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CAS: 1620195-03-0
CID: 90290853
Formula: C24H29ClN4O2
MW: 441.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.0
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass440.1979039
Monoisotopic Mass440.1979039
Topological Polar Surface Area97.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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