PHA-782584

CAT: 0013-GTR19193131-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193131-01Size:1 mg

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Description

PHA-782584 is a bioactive small molecule compound utilized in biochemical research. It serves as a valuable tool in both in vitro and in vivo studies, particularly within the fields of cell signaling and pharmacology, to investigate specific biological pathways.

CAS Number

1126899-61-3

Field of Research

Metabolism Research

Purity

99.92% (May vary between batches)

Smiles

C (=C\1/C=2C (NC1=O) =CC=C (O) C2) \C3=C (C) C (C (NCCN (CC) CC) =O) =C (C) N3

Molecular Formula

C22H28N4O3

Molecular Weight

396.48

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pha-782584

CAS Number	1126899-61-3
PubChem CID	71540360
IUPAC Name	N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular Formula	C22H28N4O3
Molecular Weight	396.5
XLogP	2.2
Topological Polar Surface Area	97.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	634

SMILES

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)O)NC2=O)C

InChI

InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28/h7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28)/b17-12-

InChIKey

YBNMTJYLJWAMGJ-ATVHPVEESA-N

Chemical Structure

2D Structure

CAS: 1126899-61-3

CID: 71540360

Formula: C22H28N4O3

MW: 396.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.5
XLogP3	2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	396.21614077
Monoisotopic Mass	396.21614077
Topological Polar Surface Area	97.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	634
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

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GTR19171717-01	PHA-665752
GTR19161923-01	PHA-665752
GTR19216127-01	PHA-543613
GTR19199796-01	PHA-408
GTR19201008-01	PHA 543613
GTR19172322-01	PHA-793887

Alternative Products

Catalog	Name
HY-117253	PHA-782584
2030411	PHA
A2307-5.1	PHA-665752
A3721-50	PHA-767491
A4122-5	PHA-680632
A5459-100	PHA-793887
VIB71400-01	PHA 767491
FM145343	PHA 793887
T24629-01	PHA-408
DVA55555	PHA 408

PHA-782584

Chemical Information

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