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A 438079

CAT: 0931-T10207-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T10207-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
899507-36-9
Target
P2X Receptor
Related Pathways
Membrane transporter/Ion channel, Neuroscience
Purity
0.9982
Bioactivity
A 438079 is a potent and selective antagonist of the P2X7 receptor (pIC50: 6.9) .
Smiles
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Molecular Formula
C13H9Cl2N5
Molecular Weight
306.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-438079
CAS Number899507-36-9
PubChem CID11673921
IUPAC Name3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
Molecular FormulaC13H9Cl2N5
Molecular Weight306.15
XLogP3
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity319
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=NN=NN2CC3=CN=CC=C3
InChI
InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
InChIKey
MMPAULQSJLVKHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-438079
CAS: 899507-36-9
CID: 11673921
Formula: C13H9Cl2N5
MW: 306.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.15
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass305.0235007
Monoisotopic Mass305.0235007
Topological Polar Surface Area56.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity319
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

Related Products

CatalogName
T127245-01Compound STOCK1N-43857

Alternative Products

CatalogName
HY-15488-01A 438079
abx283339-01A-438079
MBS577386A-438079 HCl
sc-203788CA 438079 hydrochloride
HY-15488R-01A 438079 (Standard)

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