PD 81723

CAT: 0931-T23130-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T23130-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

132861-87-1

Target

Adenosine Receptor, Others

Related Pathways

GPCR/G Protein, Others, Neuroscience

Bioactivity

Allosteric potentiator at the adenosine A1 receptor

Smiles

C(=O)(C=1C(C)=C(C)SC1N)C2=CC(C(F)(F)F)=CC=C2

Molecular Formula

C14H12F3NOS

Molecular Weight

299.31

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PD 81723

adenosine binding enhancer; structure given in first source

CAS Number	132861-87-1
PubChem CID	122028
IUPAC Name	(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
Molecular Formula	C14H12F3NOS
Molecular Weight	299.31
XLogP	4.8
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	374

SMILES

CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C

InChI

InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3

InChIKey

KKDKAWKYGCUOGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132861-87-1

CID: 122028

Formula: C14H12F3NOS

MW: 299.31

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	299.31
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	299.05916967
Monoisotopic Mass	299.05916967
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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1363/50	PD 81723

PD 81723

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