YQ456

CAT: 0931-T62804-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T62804-02Size:50 mg

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CAS Number

2093946-08-6

Target

Others

Related Pathways

Others

Bioactivity

YQ456 is a novel small molecule inhibitor of myosin that binds myosin with high affinity (KD: 37 nM) and demonstrates high resistance to invasion (IC50: 110 nM) .

Smiles

C(C)C1=NN(C(=N1)C2=CC=C(OC)C=C2)C3=CC(C(NCCCCC4=CC=CC=C4)=O)=CC=C3

Molecular Formula

C28H30N4O2

Molecular Weight

454.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide

CAS Number	2093946-08-6
PubChem CID	141473890
IUPAC Name	3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
Molecular Formula	C28H30N4O2
Molecular Weight	454.6
XLogP	6.1
Topological Polar Surface Area	69
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	34
Formal Charge	0
Complexity	603

SMILES

CCC1=NN(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c1-3-26-30-27(22-15-17-25(34-2)18-16-22)32(31-26)24-14-9-13-23(20-24)28(33)29-19-8-7-12-21-10-5-4-6-11-21/h4-6,9-11,13-18,20H,3,7-8,12,19H2,1-2H3,(H,29,33)

InChIKey

MSZAOWHKERXHJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2093946-08-6

CID: 141473890

Formula: C28H30N4O2

MW: 454.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.6
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	454.23687621
Monoisotopic Mass	454.23687621
Topological Polar Surface Area	69 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	603
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

Alternative Products

Catalog	Name
MBS5805483	YQ456

YQ456

Chemical Information

Alternative Products

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