C646

CAT: 0607-B1577-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-B1577-50Size:50 mg

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Description

HAT p300-CBP inhibitor,cell-permeable

CAS Number

328968-36-1

Product Name Alternative

4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Field of Research

Chromatin Epigenetics Histone Acetyltransferases

Purity

0.98

Form

A solid

Solubility

insoluble in H2O; ≥11.14 mg/mL in DMSO; ≥3.29 mg/mL in EtOH with ultrasonic

Smiles

CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)[N+](=O)[O-])C

Molecular Formula

C24H19N3O6

Molecular Weight

445.42

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

4-(4-((5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoic acid

a potent and specific inhibitor of p300/CBP HAT activity

CAS Number	328968-36-1
PubChem CID	2871948
IUPAC Name	4-[4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Molecular Formula	C24H19N3O6
Molecular Weight	445.4
XLogP	4.2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	857

SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)

InChIKey

HEKJYZZSCQBJGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 328968-36-1

CID: 2871948

Formula: C24H19N3O6

MW: 445.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	445.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	445.12738533
Monoisotopic Mass	445.12738533
Topological Polar Surface Area	129 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	857
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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