WS-383

CAT: 0931-T13349-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T13349-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2247544-02-9

Target

E1/E2/E3 Enzyme

Related Pathways

Ubiquitination

Purity

0.988

Bioactivity

WS-383 is a selective, potent and reversible DCN1-UBC12 interaction inhibitor (IC50 of 11 nM) .

Smiles

Cl.CN(C)CCn1nnnc1Sc1cc(C)nc2nc(SCc3ccc(Cl)cc3)nn12

Molecular Formula

C18H21Cl2N9S2

Molecular Weight

498.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

WS 383 hydrochloride

CAS Number	2247544-02-9
PubChem CID	138319703
IUPAC Name	2-[5-[[2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine;hydrochloride
Molecular Formula	C18H21Cl2N9S2
Molecular Weight	498.5
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	540

SMILES

CC1=NC2=NC(=NN2C(=C1)SC3=NN=NN3CCN(C)C)SCC4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C18H20ClN9S2.ClH/c1-12-10-15(30-18-22-24-25-27(18)9-8-26(2)3)28-16(20-12)21-17(23-28)29-11-13-4-6-14(19)7-5-13;/h4-7,10H,8-9,11H2,1-3H3;1H

InChIKey

LJZUAAKUJAXXHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2247544-02-9

CID: 138319703

Formula: C18H21Cl2N9S2

MW: 498.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	498.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	497.0738394
Monoisotopic Mass	497.0738394
Topological Polar Surface Area	141 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	540
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

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Alternative Products

Catalog	Name
555446	WS-383
BW168424-01	WS 383
A21483-500	WS-383 500mg
A21483-10	WS-383 10mg
A21483-100	WS-383 100mg
A21483-50	WS-383 50mg
A21483-5	WS-383 5mg
BW170250-01	WS 383 hydrochloride
MBS3603608-01	WS-383 hydrochloride
A21483-1	WS-383 1mg

WS-383

Chemical Information

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