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CDK-IN-2

CAT: 0931-TQ0078-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0078-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1269815-17-9
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9967
Bioactivity
CDK-IN-2 (CDK inhibitor II) is a potent and specific CDK9 inhibitor (IC50: <8 nM) .
Smiles
COc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Molecular Formula
C18H19ClFN3O2
Molecular Weight
363.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cdk-IN-2
CAS Number1269815-17-9
PubChem CID50991505
IUPAC Name(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.8
XLogP2.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity456
SMILES
COC1=C(C=C(C=C1)F)C2=CC(=NC=C2Cl)NC(=O)[C@@H]3CCCNC3
InChI
InChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKey
AHMKHNVZGOQLRQ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Cdk-IN-2
CAS: 1269815-17-9
CID: 50991505
Formula: C18H19ClFN3O2
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass363.1149827
Monoisotopic Mass363.1149827
Topological Polar Surface Area63.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity456
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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