WAY-604439

CAT: 0804-HY-49074-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-49074-01Size:5 mg

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Description

WAY-604439 is an active molecule.

CAS Number

521281-98-1

UNSPSC

12352005

Hazard Statement

H302, H315, H319

Target

Drug Derivative

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/way-604439.html

Purity

98.0

Solubility

DMSO : 10 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

FC1=C(CSC2=NN=C(C3=CC=NC=C3)N2C4=CC=CC=C4)C(Cl)=CC=C1

Molecular Formula

C20H14ClFN4S

Molecular Weight

396.87

Precautions

H302, H315, H319

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine

CAS Number	521281-98-1
PubChem CID	2358991
IUPAC Name	4-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Molecular Formula	C20H14ClFN4S
Molecular Weight	396.9
XLogP	4.7
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	461

SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C4=CC=NC=C4

InChI

InChI=1S/C20H14ClFN4S/c21-17-7-4-8-18(22)16(17)13-27-20-25-24-19(14-9-11-23-12-10-14)26(20)15-5-2-1-3-6-15/h1-12H,13H2

InChIKey

DOEXDLBKXKSGQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 521281-98-1

CID: 2358991

Formula: C20H14ClFN4S

MW: 396.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.9
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	396.0611735
Monoisotopic Mass	396.0611735
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	461
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

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