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VU0448088

CAT: 0013-GTR19236328-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236328-01Size:25 mg
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Description
VU0448088 (ML253) is a brain-penetrant, positive allosteric modulator of the muscarinic M4 receptor with EC50 values of 56 nM (human) and 176 nM (rat) . This research compound is utilized in preclinical studies investigating potential therapeutic strategies for psychiatric and neurological disorders, including schizophrenia and cognitive deficits.
CAS Number
1417616-42-2
Field of Research
Neuroscience
Smiles
O=C (NCC=1C=CN=CC1) C=2SC3=NC (=C (Cl) C (=C3C2N) C) C
Molecular Formula
C16H15ClN4OS
Molecular Weight
346.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CAS Number1417616-42-2
PubChem CID53382523
IUPAC Name3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular FormulaC16H15ClN4OS
Molecular Weight346.8
XLogP3.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity434
SMILES
CC1=C2C(=C(SC2=NC(=C1Cl)C)C(=O)NCC3=CC=NC=C3)N
InChI
InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
InChIKey
XNCQMFVABACABG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CAS: 1417616-42-2
CID: 53382523
Formula: C16H15ClN4OS
MW: 346.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight346.8
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.0655100
Monoisotopic Mass346.0655100
Topological Polar Surface Area109 Ų
Heavy Atom Count23
Formal Charge0
Complexity434
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
T88709-01VU0448088

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