PHA-782584

CAT: 0931-T33959-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T33959-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1126899-61-3

Target

Others, Drug Metabolite

Related Pathways

Others, Metabolism

Bioactivity

PHA-782584 is a bio-active chemical.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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

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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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T23145-01	PHA 543613
T69296-01	PHA-680626
T6940-01	PHA-767491 hydrochloride

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
DVA55555	PHA 408
DUA14953	PHA-543613
FM145343	PHA 793887

PHA-782584

Chemical Information

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