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IGP-5

CAT: 0931-T25527-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25527-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
351978-83-1
Target
Others, Mitochondrial Metabolism
Related Pathways
Metabolism, Others
Bioactivity
IGP-5 is a cell-permeable mitochondrial sn-Glycerol 3-phosphate dehydrogenase (mGPDH) inhibitor.
Smiles
N(C(CCC(O)=O)=O)C1=CC=C(C=2NC=3C(N2)=CC=4C(C3)=CC=CC4)C=C1
Molecular Formula
C21H17N3O3
Molecular Weight
359.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[4-(1H-benzo[f]benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CAS Number351978-83-1
PubChem CID1365827
IUPAC Name4-[4-(1H-benzo[f]benzimidazol-2-yl)anilino]-4-oxobutanoic acid
Molecular FormulaC21H17N3O3
Molecular Weight359.4
XLogP2.6
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity547
SMILES
C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC=C(C=C4)NC(=O)CCC(=O)O
InChI
InChI=1S/C21H17N3O3/c25-19(9-10-20(26)27)22-16-7-5-13(6-8-16)21-23-17-11-14-3-1-2-4-15(14)12-18(17)24-21/h1-8,11-12H,9-10H2,(H,22,25)(H,23,24)(H,26,27)
InChIKey
MNDGQXCAUYSTHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-(1H-benzo[f]benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CAS: 351978-83-1
CID: 1365827
Formula: C21H17N3O3
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass359.12699141
Monoisotopic Mass359.12699141
Topological Polar Surface Area95.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity547
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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