Y08175

CAT: 0013-GTR19185874-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19185874-02Size:50 mg

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Description

Y08175

CAS Number

2223014-57-9

Field of Research

Epigenetics & Chromatin

Smiles

C (NC1=C (F) C (=CC (C (O) =O) =C1) C2=CN (C) N=C2) (=O) C=3C=4C (N (C (C) =O) C3) =CC=C (OC) C4

Molecular Formula

C23H19FN4O5

Molecular Weight

450.42

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid

CAS Number	2223014-57-9
PubChem CID	141736367
IUPAC Name	3-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]-4-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
Molecular Formula	C23H19FN4O5
Molecular Weight	450.4
XLogP	2.3
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	769

SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)OC)C(=O)NC3=CC(=CC(=C3F)C4=CN(N=C4)C)C(=O)O

InChI

InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32)

InChIKey

RCPJEOKKJODBRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2223014-57-9

CID: 141736367

Formula: C23H19FN4O5

MW: 450.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	450.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	450.13394788
Monoisotopic Mass	450.13394788
Topological Polar Surface Area	115 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	769
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

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Catalog	Name
T62713-01	Y08175

Y08175

Chemical Information

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