A 438079

CAT: 1410-M26041-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:1410-M26041-01Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

A 438079 is a potent, and selective antagonist of P2X7 receptor (pIC50: 6.9) .

CAS Number

899507-36-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

306.15

Molecular Formula

C13H9Cl2N5

Notes

Research use only, not for human use.

Receptor

TRPM4

Chemical Information

A-438079

CAS Number	899507-36-9
PubChem CID	11673921
IUPAC Name	3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
Molecular Formula	C13H9Cl2N5
Molecular Weight	306.15
XLogP	3
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	319

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

CAS: 899507-36-9

CID: 11673921

Formula: C13H9Cl2N5

MW: 306.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.15
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	305.0235007
Monoisotopic Mass	305.0235007
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes