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Sephin1

CAT: 0607-A8708-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A8708-10Size:10 mg
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Description
Selective PPP1R15A inhibitor
CAS Number
13098-73-2
Product Name Alternative
(E)-2-(2-chlorobenzylidene)hydrazinecarboximidamide
Field of Research
Chromatin Epigenetics Protein Ser Thr Phosphatases
Purity
0.9949
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥7.75 mg/mL in DMSO
Smiles
ClC1=CC=CC=C1/C=N/NC(N)=N
Molecular Formula
C8H9ClN4
Molecular Weight
196.64
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Icerguastat

Icerguastat is an organic molecular entity. It has a role as an inhibitor.

CAS Number13098-73-2
PubChem CID9561611
IUPAC Name2-[(E)-(2-chlorophenyl)methylideneamino]guanidine
Molecular FormulaC8H9ClN4
Molecular Weight196.64
XLogP1.1
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity210
SMILES
C1=CC=C(C(=C1)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
InChIKey
PDWJALXSRRSUHR-LFYBBSHMSA-N
Chemical Structure
2D Structure
2D structure of Icerguastat
CAS: 13098-73-2
CID: 9561611
Formula: C8H9ClN4
MW: 196.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.64
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass196.0515740
Monoisotopic Mass196.0515740
Topological Polar Surface Area76.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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