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CHS 828

CAT: 1410-M13128-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M13128-07Size:100 mg
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Description
GMX1778 (CHS-828) is a potent inhibitor of NAD+ biosynthesis enzyme NAMPT with IC50 <25 nM.
CAS Number
200484-11-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
371.86
Molecular Formula
C19H22ClN5O
Notes
Research use only, not for human use.
Receptor
NAMPT| NAMPT

Chemical Information

Chs-828

2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine is an aromatic ether.

CAS Number200484-11-3
PubChem CID148198
IUPAC Name2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Molecular FormulaC19H22ClN5O
Molecular Weight371.9
XLogP4.3
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity450
SMILES
C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
InChI
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chs-828
CAS: 200484-11-3
CID: 148198
Formula: C19H22ClN5O
MW: 371.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.9
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass371.1512880
Monoisotopic Mass371.1512880
Topological Polar Surface Area82.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity450
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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CatalogName
M33466-01PI-828

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