NIC

CAT: 0013-GTR19199884-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199884-03Size:100 mg

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Description

This small molecule inhibitor, NIC, functions by blocking host cell invasion and interfering with VEGF-heparin interactions. It is a useful research tool for studying angiogenesis, metastasis, and viral entry mechanisms in both cellular and animal models of cancer and infectious disease.

CAS Number

114773-20-5

Field of Research

Infectious Disease & Virology

Smiles

C (N1C (C=O) =C (Cl) N=C1CCCC) C2=CC=C (N (=O) =O) C=C2

Molecular Formula

C15H16ClN3O3

Molecular Weight

321.76

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-Butyl-5-chloro-3-(4-nitro-benzyl)-3h-imidazole-4-carbaldehyde

CAS Number	114773-20-5
PubChem CID	19815397
IUPAC Name	2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazole-4-carbaldehyde
Molecular Formula	C15H16ClN3O3
Molecular Weight	321.76
XLogP	3.9
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	383

SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C15H16ClN3O3/c1-2-3-4-14-17-15(16)13(10-20)18(14)9-11-5-7-12(8-6-11)19(21)22/h5-8,10H,2-4,9H2,1H3

InChIKey

MXOCRZVWJNLURA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 114773-20-5

CID: 19815397

Formula: C15H16ClN3O3

MW: 321.76

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	321.76
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	321.0880191
Monoisotopic Mass	321.0880191
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	383
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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NIC

Chemical Information

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