Iu1-248

CAT: 0957-E0947-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E0947-02Size:25 mg

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Description

Iu1-248, a derivative of IU1, is a potent and selective ubiquitin specific peptidase 14 (USP14) inhibitor with an IC50 of 0.83 μM.

CAS Number

2307472-03-1

Target

DUB

Activity

Ubiquitin

Molecular Formula

C20H23N3O2

Storage Conditions

3 years -20°C powder

Chemical Information

4-(3-(2-(4-Hydroxypiperidin-1-yl)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile

CAS Number	2307472-03-1
PubChem CID	135393505
IUPAC Name	4-[3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzonitrile
Molecular Formula	C20H23N3O2
Molecular Weight	337.4
XLogP	2.5
Topological Polar Surface Area	69.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	512

SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C(=O)CN3CCC(CC3)O

InChI

InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3

InChIKey

WFOUOZGIXDMUJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2307472-03-1

CID: 135393505

Formula: C20H23N3O2

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	337.17902698
Monoisotopic Mass	337.17902698
Topological Polar Surface Area	69.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	512
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

Catalog	Name
BA3895-1	IU1-248
sc-361215B	IU1