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DA 4626

CAT: 0931-T23942-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23942-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83184-14-9
Target
AChR, Histamine Receptor, Others
Related Pathways
Neuroscience, Others, GPCR/G Protein, Immunology/Inflammation
Bioactivity
DA 4626 is H2-receptor antagonism. The compound which was investigated in a wider concentration range, behaved as simple competitive antagonists, yielding apparent KB values comparable with those estimated in conventional H2-receptor assays.
Smiles
N(=CNC(C)(C)C)C1=CC=C(C=C1)C2=CN=CN2
Molecular Formula
C14H18N4
Molecular Weight
242.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DA 4626

structure given in first source

CAS Number83184-14-9
PubChem CID134179
IUPAC NameN'-tert-butyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
Molecular FormulaC14H18N4
Molecular Weight242.32
XLogP2
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
CC(C)(C)N=CNC1=CC=C(C=C1)C2=CN=CN2
InChI
InChI=1S/C14H18N4/c1-14(2,3)18-10-16-12-6-4-11(5-7-12)13-8-15-9-17-13/h4-10H,1-3H3,(H,15,17)(H,16,18)
InChIKey
KUEHILWIADUSSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DA 4626
CAS: 83184-14-9
CID: 134179
Formula: C14H18N4
MW: 242.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.32
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass242.153146591
Monoisotopic Mass242.153146591
Topological Polar Surface Area53.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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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