AF64394

CAT: 1410-M21599-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M21599-02Size:1 mL x 10 mM in DMSO

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

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Description

AF64394 is a selective inverse agonist of GPR3 (pIC50 : 7.3) .

CAS Number

1637300-25-4

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

393.87

Molecular Formula

C21H20ClN5O

Notes

Research use only, not for human use.

Receptor

GPR3

Chemical Information

N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

CAS Number	1637300-25-4
PubChem CID	125286314
IUPAC Name	N-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular Formula	C21H20ClN5O
Molecular Weight	393.9
XLogP	5
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	489

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

CAS: 1637300-25-4

CID: 125286314

Formula: C21H20ClN5O

MW: 393.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.9
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	393.1356380
Monoisotopic Mass	393.1356380
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	489
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