TMX-4116

CAT: 0013-GTR19186773-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19186773-02Size:5 mg

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

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Description

TMX-4116

CAS Number

2766385-56-0

Field of Research

Cell Biology, Metabolism Research, Pharmacology & Drug Discovery, Stem Cell & Developmental Biology

Smiles

O (C) C=1C (=CSC1C (=O) N2CCCC2) C3=CN (N=N3) C4C (=O) NC (=O) CC4

Molecular Formula

C17H19N5O4S

Molecular Weight

389.43

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

3-{4-[4-methoxy-5-(pyrrolidine-1-carbonyl)thiophen-3-yl]-1H-1,2,3-triazol-1-yl}piperidine-2,6-dione

CAS Number	2766385-56-0
PubChem CID	162641722
IUPAC Name	3-[4-[4-methoxy-5-(pyrrolidine-1-carbonyl)thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
Molecular Formula	C17H19N5O4S
Molecular Weight	389.4
XLogP	0.6
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	614

SMILES

COC1=C(SC=C1C2=CN(N=N2)C3CCC(=O)NC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C17H19N5O4S/c1-26-14-10(9-27-15(14)17(25)21-6-2-3-7-21)11-8-22(20-19-11)12-4-5-13(23)18-16(12)24/h8-9,12H,2-7H2,1H3,(H,18,23,24)

InChIKey

OOIINFBRWZQRRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2766385-56-0

CID: 162641722

Formula: C17H19N5O4S

MW: 389.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	389.4
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	389.11577528
Monoisotopic Mass	389.11577528
Topological Polar Surface Area	135 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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