Products for Research Use Only

VU6002703

CAT: 0013-GTR19264270-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264270-01Size:50 mg
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Description
VU6002703 (Compound 17) is a brain-penetrant positive allosteric modulator (PAM) of the M4 muscarinic acetylcholine receptor (mAChR), exhibiting an EC50 of 0.6 μM for hM4. This compound is useful for researching neuropsychiatric disorders and rare genetic central nervous system conditions.
CAS Number
1934241-32-3
Field of Research
Neuroscience
Smiles
N=1C=NC (=C2C1SC (=C2C) C) N3CCC (OC4=CN=C (C=C4) C) CC3
Molecular Formula
C19H22N4OS
Molecular Weight
354.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,6-Dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
CAS Number1934241-32-3
PubChem CID127043635
IUPAC Name5,6-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
Molecular FormulaC19H22N4OS
Molecular Weight354.5
XLogP4.3
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity445
SMILES
CC1=NC=C(C=C1)OC2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C
InChI
InChI=1S/C19H22N4OS/c1-12-4-5-16(10-20-12)24-15-6-8-23(9-7-15)18-17-13(2)14(3)25-19(17)22-11-21-18/h4-5,10-11,15H,6-9H2,1-3H3
InChIKey
JPYANMJNIDAFLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
CAS: 1934241-32-3
CID: 127043635
Formula: C19H22N4OS
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass354.15143251
Monoisotopic Mass354.15143251
Topological Polar Surface Area79.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity445
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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