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ADD-17014

CAT: 0013-GTR19200593-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200593-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ADD 17014 is a small molecule anticonvulsant with a broad and distinctive activity profile. It is utilized in neuroscience research for studying seizure mechanisms and has demonstrated efficacy in both in vitro and in vivo experimental models of epilepsy.
CAS Number
55643-87-3
Smiles
ClC1=CC=C (N2C (CN=N2) C=3C=CN=CC3) C=C1
Molecular Formula
C13H11ClN4
Molecular Weight
258.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Add 17014

structure given in first source

CAS Number55643-87-3
PubChem CID162144
IUPAC Name4-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine
Molecular FormulaC13H11ClN4
Molecular Weight258.70
XLogP3.3
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity295
SMILES
C1C(N(N=N1)C2=CC=C(C=C2)Cl)C3=CC=NC=C3
InChI
InChI=1S/C13H11ClN4/c14-11-1-3-12(4-2-11)18-13(9-16-17-18)10-5-7-15-8-6-10/h1-8,13H,9H2
InChIKey
VVRREURVTJNTQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Add 17014
CAS: 55643-87-3
CID: 162144
Formula: C13H11ClN4
MW: 258.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.70
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass258.0672241
Monoisotopic Mass258.0672241
Topological Polar Surface Area40.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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