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AG-636

CAT: 0013-GTR19165785-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165785-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AG-636
CAS Number
1623416-31-8
Product Name Alternative
Inhibitor, oral, inhibit, AG 636, AG636, AG-636, anticancer, DHODH, DNA Synthesis, DNA/RNA Synthesis, DNASynthesis, Dihydroorotate Dehydrogenase, RNASynthesis, RNA Synthesis, reversible
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Purity
96.44% (May vary between batches)
Solubility
DMSO:31.25 mg/mL (91.01 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (5.82 mM)
Smiles
Cc1ccccc1-c1ccc (cc1) -c1cc (C (O) =O) c2n (C) nnc2c1
Molecular Formula
C21H17N3O2
Molecular Weight
343.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-methyl-5-(2'-methyl-[1,1'-biphenyl]-4-yl)-1H-benzo[d][1,2,3]triazole-7-carboxylic acid
CAS Number1623416-31-8
PubChem CID77461001
IUPAC Name3-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxylic acid
Molecular FormulaC21H17N3O2
Molecular Weight343.4
XLogP4.3
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity505
SMILES
CC1=CC=CC=C1C2=CC=C(C=C2)C3=CC(=C4C(=C3)N=NN4C)C(=O)O
InChI
InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)
InChIKey
GSBZRCGZLMBSNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-methyl-5-(2'-methyl-[1,1'-biphenyl]-4-yl)-1H-benzo[d][1,2,3]triazole-7-carboxylic acid
CAS: 1623416-31-8
CID: 77461001
Formula: C21H17N3O2
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass343.132076794
Monoisotopic Mass343.132076794
Topological Polar Surface Area68 Ų
Heavy Atom Count26
Formal Charge0
Complexity505
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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