USP7/USP47 inhibitor

CAT: 0127-BUP09590-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP09590-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1247825-37-1

Synonyms

USP7/47 inhibitor-1

Purity

=95%

Smiles

CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1

Chemical Information

USP7/USP47 inhibitor

CAS Number	1247825-37-1
PubChem CID	51031028
IUPAC Name	4-cyano-5-[(3,5-dichloro-4-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide
Molecular Formula	C18H11Cl2N3O3S3
Molecular Weight	484.4
XLogP	4.3
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	736

SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)SC3=C(C=NC=C3Cl)Cl)C#N

InChI

InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)

InChIKey

GUDJFFQZIISQJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247825-37-1

CID: 51031028

Formula: C18H11Cl2N3O3S3

MW: 484.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	484.4
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	482.9339601
Monoisotopic Mass	482.9339601
Topological Polar Surface Area	162 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	736
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