GS-444217 50mg

CAT: 0628-A20517-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20517-50Size:50 mg

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CAS Number

1262041-49-5

Chemical Information

GS-444217

CAS Number	1262041-49-5
PubChem CID	57504987
IUPAC Name	4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
Molecular Formula	C23H21N7O
Molecular Weight	411.5
XLogP	2
Topological Polar Surface Area	90.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	654

SMILES

C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6

InChI

InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)

InChIKey

ZGCMQKWOUIMBEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1262041-49-5

CID: 57504987

Formula: C23H21N7O

MW: 411.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	411.5
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	411.18075832
Monoisotopic Mass	411.18075832
Topological Polar Surface Area	90.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	654
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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A20517-1	GS-444217 1mg
A20517-10mM-D	GS-444217 10mM * 1mL in DMSO
A13526-50	GS-9256 50mg
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Alternative Products

Catalog	Name
MBS3844962-01	GS-444217
HY-100844R	GS-444217 (Standard)
MBS131349	Selonsertib (GS-4997; GS4997; GS 4997)
M26701-01	GS-6201
sc-490337C	GS 9973
BA2269-10	GS-621763
B8461-25	GS-441524
B8021-5.1	GS-7340
BA4730-10	GS-626510
BA7317-1	GS-704277

GS-444217 50mg

Chemical Information

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