DSHS00884

CAT: 0804-HY-113794-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-113794-06Size:100 mg

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Description

DSHS00884 is a potent human papillomavirus E6 inhibitor with an IC50 of 10 μM[1].

CAS Number

675104-49-1

Product Name Alternative

SSYA10-001

UNSPSC

12352005

Target

Filovirus

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/dshs00884.html

Concentration

10mM

Purity

99.76

Solubility

DMSO : 250 mg/mL (ultrasonic)

Smiles

S=C1N(C(CSC2=CC=CC=C2[N+]([O-])=O)=NN1)CC=C

Molecular Formula

C12H12N4O2S2

Molecular Weight

308.38

References & Citations

[1]Malecka KA, et al. Identification and characterization of small molecule human papillomavirus E6 inhibitors. ACS Chem Biol. 2014 Jul 18;9 (7) :1603-12.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Ssya-10-001

CAS Number	675104-49-1
PubChem CID	2807230
IUPAC Name	3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Molecular Formula	C12H12N4O2S2
Molecular Weight	308.4
XLogP	2.7
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	436

SMILES

C=CCN1C(=NNC1=S)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)

InChIKey

VWFIHGWHMXSTAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 675104-49-1

CID: 2807230

Formula: C12H12N4O2S2

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	308.04016799
Monoisotopic Mass	308.04016799
Topological Polar Surface Area	131 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	436
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
GTR19203399-01	DSHS00884

DSHS00884

Chemical Information

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