Products for Research Use Only

Glutaminase-IN-4

CAT: 0931-T63137-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T63137-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1439390-05-2
Target
Glutaminase, Others
Related Pathways
Others, Proteases/Proteasome
Bioactivity
Glutaminase-IN-4 (compound 2a) is a glutaminase (GLS) inhibitor with an IC50 of 2.3 μM.
Smiles
N(C(CC1=CC=CC=C1)=O)C=2SC(CCCC=3SC(NC(CC4=CC=CC=C4)=O)=NN3)=NN2
Molecular Formula
C23H22N6O2S2
Molecular Weight
478.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glutaminase-IN-4
CAS Number1439390-05-2
PubChem CID74982440
IUPAC Name2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide
Molecular FormulaC23H22N6O2S2
Molecular Weight478.6
XLogP3.7
Topological Polar Surface Area166
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity578
SMILES
C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31)
InChIKey
COSPOTYTNSRZGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glutaminase-IN-4
CAS: 1439390-05-2
CID: 74982440
Formula: C23H22N6O2S2
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass478.12456631
Monoisotopic Mass478.12456631
Topological Polar Surface Area166 Ų
Heavy Atom Count33
Formal Charge0
Complexity578
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