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UBP316

CAT: 0931-T22546-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T22546-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936095-50-0
Target
Others, iGluR
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
GluR5-containing kainate receptor antagonist
Smiles
Cc1cn(C[C@H](N)C(O)=O)c(=O)n(Cc2cc(sc2C(O)=O)-c2ccccc2)c1=O
Molecular Formula
C20H19N3O6S
Molecular Weight
429.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-({3-[(2s)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydropyrimidin-1(2h)-Yl}methyl)-5-Phenylthiophene-2-Carboxylic Acid
CAS Number936095-50-0
PubChem CID16125102
IUPAC Name3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acid
Molecular FormulaC20H19N3O6S
Molecular Weight429.4
XLogP-1.1
Topological Polar Surface Area169
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity751
SMILES
CC1=CN(C(=O)N(C1=O)CC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
InChIKey
LCZDCKMQSBGXAH-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 3-({3-[(2s)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydropyrimidin-1(2h)-Yl}methyl)-5-Phenylthiophene-2-Carboxylic Acid
CAS: 936095-50-0
CID: 16125102
Formula: C20H19N3O6S
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass429.09945651
Monoisotopic Mass429.09945651
Topological Polar Surface Area169 Ų
Heavy Atom Count30
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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