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BX430

CAT: 0931-T14844-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14844-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
688309-70-8
Target
P2X Receptor, Calcium Channel
Related Pathways
Neuroscience, Metabolism, Membrane transporter/Ion channel
Purity
0.9995
Bioactivity
BX430 is used for chronic pain and cardiovascular disease and it is a potent and selective noncompetitive allosteric human P2X4 receptor channels antagonist with an IC50 of 0.54 μM. BX430 has species specificity.
Smiles
CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1
Molecular Formula
C15H15Br2N3O
Molecular Weight
413.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BX430
CAS Number688309-70-8
PubChem CID2810999
IUPAC Name1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea
Molecular FormulaC15H15Br2N3O
Molecular Weight413.11
XLogP3.9
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity342
SMILES
CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2=CN=CC=C2)Br
InChI
InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
InChIKey
JFNKIJKRXKPQCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BX430
CAS: 688309-70-8
CID: 2810999
Formula: C15H15Br2N3O
MW: 413.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.11
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass412.95614
Monoisotopic Mass410.95819
Topological Polar Surface Area54 Ų
Heavy Atom Count21
Formal Charge0
Complexity342
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
BA6575-50BX430

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