ZYF0033

CAT: 0127-BUP20897-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20897-02Size:5 mg

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CAS Number

2380300-79-6

Synonyms

HPK1-IN-22 , ZYF 0033

Purity

=98%

Smiles

OC(C#CC1=CC=CC(=C1)COC=2C=C(C=NC2N)C=3SC(=NC3)C4CCN(C)CC4)(C)C

Chemical Information

4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol

CAS Number	2380300-79-6
PubChem CID	155905549
IUPAC Name	4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol
Molecular Formula	C26H30N4O2S
Molecular Weight	462.6
XLogP	3.4
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	699

SMILES

CC(C)(C#CC1=CC=CC(=C1)COC2=C(N=CC(=C2)C3=CN=C(S3)C4CCN(CC4)C)N)O

InChI

InChI=1S/C26H30N4O2S/c1-26(2,31)10-7-18-5-4-6-19(13-18)17-32-22-14-21(15-28-24(22)27)23-16-29-25(33-23)20-8-11-30(3)12-9-20/h4-6,13-16,20,31H,8-9,11-12,17H2,1-3H3,(H2,27,28)

InChIKey

BJNWUKRWOQERPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2380300-79-6

CID: 155905549

Formula: C26H30N4O2S

MW: 462.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	462.6
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	462.20894739
Monoisotopic Mass	462.20894739
Topological Polar Surface Area	113 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	699
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

Alternative Products

Catalog	Name
GTR19185643-01	ZYF0033

ZYF0033

Chemical Information

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