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ALDH1A1-IN-4

CAT: 0931-T85619-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85619-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23982-86-7
Target
Dehydrogenase
Related Pathways
Metabolism
Bioactivity
ALDH1A1-IN-4 (compound A1) functions as a powerful inhibitor of aldehyde dehydrogenase (ALDH) A1, exhibiting an IC 50 value of 0.32 μM. This compound is significant in cancer research [1].
Smiles
ClC=1C=CC(=CC1)C2=NC=3C=CC=CC3N2CC=4C=CC=CC4
Molecular Formula
C20H15ClN2
Molecular Weight
318.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Benzyl-2-(4-chlorophenyl)benzimidazole
CAS Number23982-86-7
PubChem CID4553450
IUPAC Name1-benzyl-2-(4-chlorophenyl)benzimidazole
Molecular FormulaC20H15ClN2
Molecular Weight318.8
XLogP5.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity374
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey
XQVAAXWMDWEOJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-2-(4-chlorophenyl)benzimidazole
CAS: 23982-86-7
CID: 4553450
Formula: C20H15ClN2
MW: 318.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.8
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass318.0923762
Monoisotopic Mass318.0923762
Topological Polar Surface Area17.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity374
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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Alternative Products

CatalogName
HY-157872ALDH1A1-IN-4
sc-374076ALDH1A1 (H-4)
sc-374076 HRPALDH1A1 (H-4) HRP
sc-374076 ACALDH1A1 (H-4) AC
sc-374076 PEALDH1A1 (H-4) PE
sc-374076 FITCALDH1A1 (H-4) FITC
sc-374076 PALDH1A1 (H-4) P
enz-453ALDH1A1

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