NSC2805

CAT: 0957-E5844-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-E5844-01Size:5 mg

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Description

NSC2805 is a potent inhibitor of WWP2 ubiquitin ligase with an IC50 of 0.38 μM. It is used in cancer research for studying WWP2-associated pathways.

CAS Number

4371-34-0

Target

E3 Ligase

Activity

Ubiquitin

Molecular Formula

C14H14O4

Chemical Information

4,4'-Dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol

CAS Number	4371-34-0
PubChem CID	220284
IUPAC Name	2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol
Molecular Formula	C14H14O4
Molecular Weight	246.26
XLogP	2.9
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	255

SMILES

CC1=CC(=C(C=C1O)C2=C(C=C(C(=C2)O)C)O)O

InChI

InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3

InChIKey

DSVRCBOSZSZMRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4371-34-0

CID: 220284

Formula: C14H14O4

MW: 246.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.26
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	246.08920892
Monoisotopic Mass	246.08920892
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	255
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