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ASN04421891

CAT: 0931-T26667-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26667-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
570365-12-7
Target
Others
Related Pathways
Others
Bioactivity
ASN04421891, a potent GPR17 receptor modulator with an EC50 of 3.67 nM in the [35S]GTPγS binding assay, shows promise for neurodegenerative diseases research[1].
Smiles
C(N(CC1=CC=CC=C1)CCC2=CC=CC=C2)(C3=CC=4C(NC3=O)=CC=C(OC)C4)C=5N(CCOC)N=NN5
Molecular Formula
C30H32N6O3
Molecular Weight
524.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asn04421891
CAS Number570365-12-7
PubChem CID3187704
IUPAC Name3-[[benzyl(2-phenylethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
Molecular FormulaC30H32N6O3
Molecular Weight524.6
XLogP3.8
Topological Polar Surface Area94.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity800
SMILES
COCCN1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OC)NC2=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C30H32N6O3/c1-38-18-17-36-29(32-33-34-36)28(26-20-24-19-25(39-2)13-14-27(24)31-30(26)37)35(21-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,19-20,28H,15-18,21H2,1-2H3,(H,31,37)
InChIKey
JKKKHIBCTKIWFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asn04421891
CAS: 570365-12-7
CID: 3187704
Formula: C30H32N6O3
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass524.25358890
Monoisotopic Mass524.25358890
Topological Polar Surface Area94.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-128128-01ASN04421891

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