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VU0155094

CAT: 1410-M28585-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M28585-03Size:10 mg
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Description
ML397 is a positive allosteric modulator with differential activity at the various group III mGluRs.
CAS Number
731006-86-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
436.53
Molecular Formula
C24H24N2O4S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

VU0155094

a positive allosteric modulator of metabotropic glutamate receptor 7; structure in first source

CAS Number731006-86-3
PubChem CID4043841
IUPAC Namemethyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Molecular FormulaC24H24N2O4S
Molecular Weight436.5
XLogP4.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity641
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
InChIKey
BCNKQXDDMIBITO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0155094
CAS: 731006-86-3
CID: 4043841
Formula: C24H24N2O4S
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass436.14567842
Monoisotopic Mass436.14567842
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity641
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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