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IDD388

CAT: 0931-T27583-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27583-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
314297-26-2
Target
Reductase, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Endocrinology/Hormones, Metabolism, Cell Cycle/Checkpoint
Purity
0.9956
Bioactivity
IDD388 is a selective and potent aldose reductase (ALR2) inhibitor with antitumor activity that inhibits the ALR1 receptor.
Smiles
C(NCC1=C(F)C=C(Br)C=C1)(=O)C2=C(OCC(O)=O)C=C(Cl)C=C2
Molecular Formula
C16H12BrClFNO4
Molecular Weight
416.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid
CAS Number314297-26-2
PubChem CID16058629
IUPAC Name2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid
Molecular FormulaC16H12BrClFNO4
Molecular Weight416.6
XLogP3.7
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
C1=CC(=C(C=C1Cl)OCC(=O)O)C(=O)NCC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
InChIKey
ZLIGBZRXAQNUFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid
CAS: 314297-26-2
CID: 16058629
Formula: C16H12BrClFNO4
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass414.96223
Monoisotopic Mass414.96223
Topological Polar Surface Area75.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
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

Alternative Products

CatalogName
BA7166-25IDD388

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