Products for Research Use Only

KTX-005

CAT: 0013-GTR19258677-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258677-01Size:10 mg
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Description
KTX-005 is an mAChR agonist that modulates the acetylcholine neurotransmitter signaling pathway and can be used for studying schizophrenia.
CAS Number
162182-77-6
Field of Research
Neuroscience
Smiles
S (CCCC) C=1C ([C@@H]2[C@@]3 (C[N@] (C2) CCC3) [H]) =NSN1
Molecular Formula
C13H21N3S2
Molecular Weight
283.456
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
CAS Number162182-77-6
PubChem CID9835489
IUPAC Name3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole
Molecular FormulaC13H21N3S2
Molecular Weight283.5
XLogP3.1
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity277
SMILES
CCCCSC1=NSN=C1[C@H]2CN3CCC[C@H]2C3
InChI
InChI=1S/C13H21N3S2/c1-2-3-7-17-13-12(14-18-15-13)11-9-16-6-4-5-10(11)8-16/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey
CZKNQABKYRAKQE-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
CAS: 162182-77-6
CID: 9835489
Formula: C13H21N3S2
MW: 283.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass283.11769003
Monoisotopic Mass283.11769003
Topological Polar Surface Area82.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes