USP30 inhibitor 11

CAT: 0127-BUP04659-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04659-01Size:5 mg

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CAS Number

2067332-64-1

Synonyms

USP30-IN-11

Purity

=95%

Smiles

COc1ccc(nc1C#N)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N

Chemical Information

USP30 inhibitor 11

CAS Number	2067332-64-1
PubChem CID	124197552
IUPAC Name	(2S)-1-cyano-N-[4-(6-cyano-5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
Molecular Formula	C17H16N6O2S
Molecular Weight	368.4
XLogP	2.2
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	627

SMILES

CN(C1=NC(=CS1)C2=NC(=C(C=C2)OC)C#N)C(=O)[C@@H]3CCCN3C#N

InChI

InChI=1S/C17H16N6O2S/c1-22(16(24)14-4-3-7-23(14)10-19)17-21-13(9-26-17)11-5-6-15(25-2)12(8-18)20-11/h5-6,9,14H,3-4,7H2,1-2H3/t14-/m0/s1

InChIKey

APFKLZAHDDDAOH-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 2067332-64-1

CID: 124197552

Formula: C17H16N6O2S

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	368.10554495
Monoisotopic Mass	368.10554495
Topological Polar Surface Area	134 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	627
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BUP07423-01	USP30 inhibitor 18
BUP15213-01	Tubulin inhibitor 11
BUP14535-01	GSK-3ß inhibitor 11
BUP06716-01	D-secretase inhibitor 11
BUP16102	Prolyl-4-hydroxylase Inhibitor 11
BUP11967-01	Gp120-a4ß7 binding inhibitor 11
BUP12606-01	11ß-HSD1-IN-11
BUP07132-01	MitoBloCK-11 (MB-11)
OR1079100-01	1,11-Dioxa[11]paracyclophane
OR1034821-01	11-Methoxy-11-oxoundecanoic acid