Products for Research Use Only
RegisterLogin

VU0448088

CAT: 0931-T88709-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T88709-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1417616-42-2
Target
AChR
Related Pathways
Neuroscience
Bioactivity
VU0448088 (ML253) is a potent positive allosteric modulator of the tricyclic muscarinic acetylcholine receptor subtype 4 (M4) and can cross the blood-brain barrier. It exhibits EC50 values of 56 nM and 176 nM in humans and rats, respectively. The compound VU0448088 holds potential for use in psychiatric research.
Smiles
O=C(NCC=1C=CN=CC1)C=2SC3=NC(=C(Cl)C(=C3C2N)C)C
Molecular Formula
C16H15ClN4OS
Molecular Weight
346.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
GTR19236328-01VU0448088

Popular Products