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RAD51 Inhibitor B02

CAT: 0607-B8396-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B8396-5Size:5 mg
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CAS Number
1290541-46-6
Product Name Alternative
(E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4(3H)-one
Sequence
B02
Purity
0.98
Solubility
≥24.85 mg/mL in DMSO
Smiles
O=C(N1CC2=CC=CC=C2)C3=C(C=CC=C3)N=C1/C=C/C4=CC=CN=C4
Molecular Formula
C22H17N3O
Molecular Weight
339.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)

3-(phenylmethyl)-2-[2-(3-pyridinyl)ethenyl]-4-quinazolinone is a member of quinazolines.

CAS Number1290541-46-6
PubChem CID5738263
IUPAC Name3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Molecular FormulaC22H17N3O
Molecular Weight339.4
XLogP3.4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity550
SMILES
C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CN=CC=C4
InChI
InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
InChIKey
GEKDQXSPTHHANP-OUKQBFOZSA-N
Chemical Structure
2D Structure
2D structure of ((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CAS: 1290541-46-6
CID: 5738263
Formula: C22H17N3O
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass339.137162174
Monoisotopic Mass339.137162174
Topological Polar Surface Area45.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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