NSC622608

CAT: 0957-S9869-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-S9869-02Size:25 mg

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Description

NSC622608 is a first small-molecule ligand for V-domain Ig Suppressor of T-cell Activation (VISTA) with an IC50 of 4.8 μM in TR-FRET assay.

CAS Number

2593254-90-9

Target

Others

Activity

Others

Molecular Formula

C9H12BrN3OS2

Storage Conditions

3 years -20°C powder

Chemical Information

3-((Furan-2-ylmethyl)imino)-N,N-dimethyl-3H-1,2,4-dithiazol-5-amine hydrobromide

CAS Number	2593254-90-9
PubChem CID	360474
IUPAC Name	5-(furan-2-ylmethylimino)-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide
Molecular Formula	C9H12BrN3OS2
Molecular Weight	322.3
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	291

SMILES

CN(C)C1=NC(=NCC2=CC=CO2)SS1.Br

InChI

InChI=1S/C9H11N3OS2.BrH/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7;/h3-5H,6H2,1-2H3;1H

InChIKey

VVZWMEHUXGPOIY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2593254-90-9

CID: 360474

Formula: C9H12BrN3OS2

MW: 322.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	320.96052
Monoisotopic Mass	320.96052
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	291
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	2
Compound Is Canonicalized	Yes

Catalog	Name
GTR19172184-01	NSC622608