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MCL1020

CAT: 0931-T211344-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211344-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2309309-69-9
Target
Chk
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
MCL1020 is a CHK1 inhibitor with an IC50 of 1.61 μM. It interacts with multiple sites on the CHK1 kinase, effectively occupying the ATP-binding pocket. MCL1020 is useful for research in hematologic malignancies.
Smiles
N#CC1=NC=C(C=C1)NC=2N=CC(=CN2)C3=CC=CC=C3
Molecular Formula
C16H11N5
Molecular Weight
273.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[(5-Phenylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
CAS Number2309309-69-9
PubChem CID155549167
IUPAC Name5-[(5-phenylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
Molecular FormulaC16H11N5
Molecular Weight273.29
XLogP2.7
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity362
SMILES
C1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CN=C(C=C3)C#N
InChI
InChI=1S/C16H11N5/c17-8-14-6-7-15(11-18-14)21-16-19-9-13(10-20-16)12-4-2-1-3-5-12/h1-7,9-11H,(H,19,20,21)
InChIKey
XEROGGJQAKGSKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(5-Phenylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
CAS: 2309309-69-9
CID: 155549167
Formula: C16H11N5
MW: 273.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.29
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass273.10144537
Monoisotopic Mass273.10144537
Topological Polar Surface Area74.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity362
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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