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ZLN005

CAT: 0607-B2069-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B2069-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
transcriptional regulator of PGC-1α
CAS Number
49671-76-3
Product Name Alternative
2-(4-tert-butylphenyl)-1H-benzimidazole
Field of Research
Others PGC-1α
Purity
0.98
Form
A solid
Solubility
≥23.3 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
Molecular Formula
C17H18N2
Molecular Weight
250.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Zln005

structure in first source

CAS Number49671-76-3
PubChem CID899323
IUPAC Name2-(4-tert-butylphenyl)-1H-benzimidazole
Molecular FormulaC17H18N2
Molecular Weight250.34
XLogP4.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)
InChIKey
LQUNNCQSFFKSSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zln005
CAS: 49671-76-3
CID: 899323
Formula: C17H18N2
MW: 250.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.34
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass250.146998583
Monoisotopic Mass250.146998583
Topological Polar Surface Area28.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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