NLRP3-IN-13

CAT: 0607-BA6115-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6115-1Size:1 mg

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CAS Number

1704638-35-6

Form

A solid

Molecular Formula

C19H15N3O3S

Molecular Weight

365.41

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Nlrp3-IN-13

CAS Number	1704638-35-6
PubChem CID	86265099
IUPAC Name	2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
Molecular Formula	C19H15N3O3S
Molecular Weight	365.4
XLogP	2.4
Topological Polar Surface Area	99.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	532

SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)NCC3=CC(=CN=C3)C4=CSC=C4

InChI

InChI=1S/C19H15N3O3S/c23-18(11-22-16-3-1-2-4-17(16)25-19(22)24)21-9-13-7-15(10-20-8-13)14-5-6-26-12-14/h1-8,10,12H,9,11H2,(H,21,23)

InChIKey

HUHGLJIKNHWNBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1704638-35-6

CID: 86265099

Formula: C19H15N3O3S

MW: 365.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	365.08341252
Monoisotopic Mass	365.08341252
Topological Polar Surface Area	99.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	532
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

Catalog	Name
T73018-01	NLRP3-IN-13
QY-E06005	Human NLRP3 Inflammasome (NLRP3)
MBS8534011-01	NLRP3