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ML192

CAT: 0931-T33452-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T33452-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
460331-61-7
Target
GPCR, Arrestin, ERK, Cannabinoid Receptor, PKC
Related Pathways
GPCR/G Protein, Cytoskeletal Signaling, Chromatin/Epigenetic, Endocrinology/Hormones, MAPK
Purity
0.9979
Bioactivity
ML192 (CID1434953) is a selective GPR55 ligand antagonist. ML192 is an inhibitor that inhibits β-arrestin transport, ERK1/2 phosphorylation, and PKCβII translocation.
Smiles
Cc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1
Molecular Formula
C20H22N4O2S
Molecular Weight
382.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone

2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone is a N-arylpiperazine.

CAS Number460331-61-7
PubChem CID1434953
IUPAC Namefuran-2-yl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Molecular FormulaC20H22N4O2S
Molecular Weight382.5
XLogP4
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity556
SMILES
CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CO5
InChI
InChI=1S/C20H22N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h4,6,12H,2-3,5,7-11H2,1H3
InChIKey
GDPDARVUXXOYAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CAS: 460331-61-7
CID: 1434953
Formula: C20H22N4O2S
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass382.14634713
Monoisotopic Mass382.14634713
Topological Polar Surface Area90.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity556
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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