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AF64394

CAT: 0931-T8407-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T8407-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1637300-25-4
Target
Others, Orphan Receptor, GPCR
Related Pathways
Endocrinology/Hormones, GPCR/G Protein, Others
Purity
0.9855
Bioactivity
AF64394 is a selective inverse agonist of GPR3 (pIC50 : 7.3)
Smiles
CC(C)Oc1cc(Cl)ccc1CNc1cc(nc2ncnn12)-c1ccccc1
Molecular Formula
C21H20ClN5O
Molecular Weight
393.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CAS Number1637300-25-4
PubChem CID125286314
IUPAC NameN-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC21H20ClN5O
Molecular Weight393.9
XLogP5
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
CC(C)OC1=C(C=CC(=C1)Cl)CNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4
InChI
InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3
InChIKey
WBYNZQXAAWPAGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CAS: 1637300-25-4
CID: 125286314
Formula: C21H20ClN5O
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass393.1356380
Monoisotopic Mass393.1356380
Topological Polar Surface Area64.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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
M21599-01AF64394
A21574-50AF64394 50mg
A21574-10AF64394 10mg
A21574-25AF64394 25mg
A21574-100AF64394 100mg
A21574-5AF64394 5mg
A21574-1AF64394 1mg
A21574-10mM-DAF64394 10mM * 1mL in DMSO

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