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S07662

CAT: 0013-GTR19199687-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199687-02Size:5 mg
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Description
S07662 is a potent inverse agonist of the human constitutive androstane receptor (CAR) with an IC50 of 0.7 μM. Its mechanism involves promoting NCoR corepressor recruitment and inhibiting proteasomal degradation, making it a valuable chemical probe for investigating CAR's role in cancer biology and drug metabolism in cellular and animal models.
CAS Number
883226-64-0
Product Name Alternative
S 07662, S07662, S-07662
Purity
98.87% (May vary between batches)
Smiles
O=C (NCC=1SC=CC1) NCC2=C (OC=3C=CC=CC32) C
Molecular Formula
C16H16N2O2S
Molecular Weight
300.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-((2-Methylbenzofuran-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea

a constitutive androstane receptor inverse agonist

CAS Number883226-64-0
PubChem CID2732040
IUPAC Name1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
Molecular FormulaC16H16N2O2S
Molecular Weight300.4
XLogP2.9
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity366
SMILES
CC1=C(C2=CC=CC=C2O1)CNC(=O)NCC3=CC=CS3
InChI
InChI=1S/C16H16N2O2S/c1-11-14(13-6-2-3-7-15(13)20-11)10-18-16(19)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H2,17,18,19)
InChIKey
UITFWLJMEZPXOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((2-Methylbenzofuran-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CAS: 883226-64-0
CID: 2732040
Formula: C16H16N2O2S
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass300.09324893
Monoisotopic Mass300.09324893
Topological Polar Surface Area82.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity366
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
MBS5774495S07662

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