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UBP 301

CAT: 0607-B6850-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6850-10Size:10 mg
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Description
kainate receptor antagonist
CAS Number
569371-10-4
Product Name Alternative
(S)-4-((3-(2-amino-2-carboxyethyl)-5-iodo-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid
Field of Research
Membrane Transporter Ion Channel Kainate Receptors
Form
A crystalline solid
Solubility
Limited solubility, soluble in DMSO
Smiles
IC(C(N1CC2=CC=C(C(O)=O)C=C2)=O)=CN(C1=O)C[C@@](N)([H])C(O)=O
Molecular Formula
C15H14IN3O6
Molecular Weight
459.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
CAS Number569371-10-4
PubChem CID6604913
IUPAC Name4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
Molecular FormulaC15H14IN3O6
Molecular Weight459.19
XLogP-2.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity614
SMILES
C1=CC(=CC=C1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)I)C(=O)O
InChI
InChI=1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-1-3-9(4-2-8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
InChIKey
JHSYCOCOIYSZGI-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of 4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
CAS: 569371-10-4
CID: 6604913
Formula: C15H14IN3O6
MW: 459.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.19
XLogP3-2.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass458.99273
Monoisotopic Mass458.99273
Topological Polar Surface Area141 Ų
Heavy Atom Count25
Formal Charge0
Complexity614
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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