Nrf2-IN-1

CAT: 0607-BA8615-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8615-5Size:5 mg

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

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CAS Number

1610022-76-8

Form

A solid

Molecular Formula

C21H22ClN3O2

Molecular Weight

383.87

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nrf2-IN-1

CAS Number	1610022-76-8
PubChem CID	76900951
IUPAC Name	1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-hydroxypyrazole-5-carboxamide
Molecular Formula	C21H22ClN3O2
Molecular Weight	383.9
XLogP	4.9
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	494

SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NO

InChI

InChI=1S/C21H22ClN3O2/c1-21(2,3)16-8-4-14(5-9-16)13-25-19(20(26)24-27)12-18(23-25)15-6-10-17(22)11-7-15/h4-12,27H,13H2,1-3H3,(H,24,26)

InChIKey

ZFDMUUNGVLREEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1610022-76-8

CID: 76900951

Formula: C21H22ClN3O2

MW: 383.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.9
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	383.1400546
Monoisotopic Mass	383.1400546
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	494
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
BA8623-5	Nrf2-IN-3
BA8623-10	Nrf2-IN-3
BA8623-25	Nrf2-IN-3
BA8628-1	Keap1-Nrf2-IN-13
BA8628-5	Keap1-Nrf2-IN-13
BA8631-10	Nrf2-Activator-12G
BA8631-5	Nrf2-Activator-12G
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PA1250-.05	Anti-Nrf2 Rabbit Polyclonal Antibody