S7958

CAT: 0931-T71210-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71210-02Size:50 mg

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

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CAS Number

1217341-48-4

Target

Others

Related Pathways

Others

Bioactivity

S7958 is a is a TAS2R8 antagonist. It was found to be non-mutagenic in vitro.

Smiles

O=C1N(C(=O)C(C)(C)N1CC2=CC(O)=CC=C2)C3=CN(CC=4C(C)=NOC4C)N=C3

Molecular Formula

C21H23N5O4

Molecular Weight

409.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione

CAS Number	1217341-48-4
PubChem CID	53374958
IUPAC Name	3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
Molecular Formula	C21H23N5O4
Molecular Weight	409.4
XLogP	1.8
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	674

SMILES

CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=CC(=CC=C4)O)(C)C

InChI

InChI=1S/C21H23N5O4/c1-13-18(14(2)30-23-13)12-24-11-16(9-22-24)26-19(28)21(3,4)25(20(26)29)10-15-6-5-7-17(27)8-15/h5-9,11,27H,10,12H2,1-4H3

InChIKey

XQKWOHNWLKRKNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1217341-48-4

CID: 53374958

Formula: C21H23N5O4

MW: 409.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	409.4
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	409.17500423
Monoisotopic Mass	409.17500423
Topological Polar Surface Area	105 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	674
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

Alternative Products

Catalog	Name
GTR19208174-01	S7958

S7958

Chemical Information

Alternative Products

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