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LY 225910

CAT: 0607-B6550-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6550-10Size:10 mg
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Description
CCK2 receptor antagonist
CAS Number
133040-77-4
Product Name Alternative
2-(2-(5-bromo-1H-indol-3-yl)ethyl)-3-(3-isopropoxyphenyl)quinazolin-4(3H)-one
Field of Research
GPCR G protein CCK2 Receptors
Purity
0.98
Form
White solid
Solubility
Soluble to 100 mM in DMSO
Smiles
BrC1=CC=C2NC=C(C2=C1)CCC(N3C4=CC=CC(OC(C)C)=C4)=NC5=CC=CC=C5C3=O
Molecular Formula
C27H24BrN3O2
Molecular Weight
502.41
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

2-(2-(5-Bromo-1H-indol-3-yl)ethyl)-3-(3-(1-methylethoxy)phenyl)-4-(3H)-quinazolinone

2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)-4-quinazolinone is a member of quinazolines.

CAS Number133040-77-4
PubChem CID4355450
IUPAC Name2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)quinazolin-4-one
Molecular FormulaC27H24BrN3O2
Molecular Weight502.4
XLogP5.9
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity728
SMILES
CC(C)OC1=CC=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)CCC4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3
InChIKey
KUECXUACQOYKNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(5-Bromo-1H-indol-3-yl)ethyl)-3-(3-(1-methylethoxy)phenyl)-4-(3H)-quinazolinone
CAS: 133040-77-4
CID: 4355450
Formula: C27H24BrN3O2
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.4
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass501.10519
Monoisotopic Mass501.10519
Topological Polar Surface Area57.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity728
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

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