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A-123189

CAT: 0931-T26466-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26466-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
255713-53-2
Target
Others, Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
A-123189 is a potent, alpha1D-selective antagonist.
Smiles
O=C1C=2C(=CSC2NC(=O)N1CCN3CCN(CC3)C4=C(OC)C=CC=C4)C5=CC(C)=CC=C5
Molecular Formula
C26H28N4O3S
Molecular Weight
476.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-123189

structure in first source

CAS Number255713-53-2
PubChem CID9891167
IUPAC Name3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
Molecular FormulaC26H28N4O3S
Molecular Weight476.6
XLogP4.2
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity731
SMILES
CC1=CC(=CC=C1)C2=CSC3=C2C(=O)N(C(=O)N3)CCN4CCN(CC4)C5=CC=CC=C5OC
InChI
InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
InChIKey
PANBMHHKBRMYAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-123189
CAS: 255713-53-2
CID: 9891167
Formula: C26H28N4O3S
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass476.18821194
Monoisotopic Mass476.18821194
Topological Polar Surface Area93.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity731
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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Alternative Products

CatalogName
GTR19198386-01A-123189

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