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MK2-IN-1 hydrochloride

CAT: 0957-E2407Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E2407Size:5 mg
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Description
MK2-IN-1 hydrochloride is a potent and selective MAPKAP-K2 (MK2) inhibitor with IC50 of 0.11 μM with a non-ATP competitive binding mode.
CAS Number
1314118-94-9
Target
MAPKAPK2
Activity
MAPK
Molecular Formula
C27H25ClN4O2.ClH
Storage Conditions
3 years -20°C powder

Chemical Information

MK2-IN-1 hydrochloride
CAS Number1314118-94-9
PubChem CID70681199
IUPAC Name5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
Molecular FormulaC27H26Cl2N4O2
Molecular Weight509.4
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity645
SMILES
C1CN(CCN1)C2=CC=C(C=C2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl.Cl
InChI
InChI=1S/C27H25ClN4O2.ClH/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31;/h1-14,29H,15-19H2;1H
InChIKey
AZDOSXSDARWKGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK2-IN-1 hydrochloride
CAS: 1314118-94-9
CID: 70681199
Formula: C27H26Cl2N4O2
MW: 509.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass508.1432815
Monoisotopic Mass508.1432815
Topological Polar Surface Area61.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes