PCNA-I1

CAT: 1410-M24405-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1410-M24405-04Size:25 mg

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Description

PCNA-I1 is an inhibitor targeting PCNA chromatin association in prostate cancer.

CAS Number

444930-42-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

310.37

Molecular Formula

C17H14N2O2S

Notes

Research use only, not for human use.

Receptor

PCNA

Chemical Information

Pcna-I1

CAS Number	444930-42-1
PubChem CID	135533619
IUPAC Name	N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylthiophene-2-carboxamide
Molecular Formula	C17H14N2O2S
Molecular Weight	310.4
XLogP	4.1
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	429

SMILES

CC1=C(SC=C1)C(=O)N/N=C/C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C17H14N2O2S/c1-11-8-9-22-16(11)17(21)19-18-10-13-7-6-12-4-2-3-5-14(12)15(13)20/h2-10,20H,1H3,(H,19,21)/b18-10+

InChIKey

NZWTWRNHYZNWNW-VCHYOVAHSA-N

Chemical Structure

2D Structure

CAS: 444930-42-1

CID: 135533619

Formula: C17H14N2O2S

MW: 310.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.4
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	310.07759887
Monoisotopic Mass	310.07759887
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	429
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes