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MK2 Inhibitor IV

CAT: 0607-C5545-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C5545-5Size:5 mg
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Description
highly selective, non-ATP competitive MK2 inhibitor
CAS Number
1314118-94-9
Product Name Alternative
5-(4-chlorophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide, monohydrochloride
Sequence
MK 25
Field of Research
MAPK Signaling MKK
Purity
0.9965
Solubility
insoluble in DMSO; ≥16.5 mg/mL in EtOH with ultrasonic; ≥37.4 mg/mL in H2O
Smiles
O=C(N(C1=CC=C(N2CCNCC2)C=C1)CC3=NC=CC=C3)C4=CC=C(C5=CC=C(Cl)C=C5)O4.Cl
Molecular Formula
C27H25ClN4O2·HCl
Molecular Weight
509.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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

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