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A-437203

CAT: 0931-T10213-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T10213-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220519-06-2
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.988
Bioactivity
A-437203 (Lu201640) is A kind of based on 1 h - pyrimidin - 2 - one sca ff old, selective, new powerful d3 receptor antagonist, on D2, d3, and D4 receptor, Ki value 71, respectively 1.6 and 6220 nM.
Smiles
C(F)(F)(F)C1=CC(=NC(C(C)(C)C)=N1)N2CCN(CCCSC=3NC(=O)C=CN3)CC2
Molecular Formula
C20H27F3N6OS
Molecular Weight
456.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ABT-925 anhydrous free base

See also: Abt-925 (is active moiety of); abt-925 anhydrous (is active moiety of).

CAS Number220519-06-2
PubChem CID9916104
IUPAC Name2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
Molecular FormulaC20H27F3N6OS
Molecular Weight456.5
XLogP3.4
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity685
SMILES
CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F
InChI
InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)
InChIKey
KXVAICSRMHXLJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ABT-925 anhydrous free base
CAS: 220519-06-2
CID: 9916104
Formula: C20H27F3N6OS
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass456.19191517
Monoisotopic Mass456.19191517
Topological Polar Surface Area99 Ų
Heavy Atom Count31
Formal Charge0
Complexity685
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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