Products for Research Use Only

IGS-1.76

CAT: 0013-GTR19156570-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156570-07Size:500 mg
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Description
IGS-1.76 shows a significantly increased affinity for hNCS-1 and is able to modulate the hNCS-1/Ric8a interaction efficiently.IGS-1.76 efficiently inhibits the human NCS-1/Ric8a complex.IGS-1.76, which efficiently inhibits the human NCS-1/Ric8a complex with improved binding potency.
CAS Number
313480-47-6
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (697.43 mM)
Smiles
O=C (CC (c1ccccc1) c2ccccc2) Nc3nc4ccccc4s3
Molecular Formula
C22H18N2OS
Molecular Weight
358.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CAS Number313480-47-6
PubChem CID591698
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
Molecular FormulaC22H18N2OS
Molecular Weight358.5
XLogP5.2
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity441
SMILES
C1=CC=C(C=C1)C(CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)
InChIKey
GYQWKTIZRYVFEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CAS: 313480-47-6
CID: 591698
Formula: C22H18N2OS
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass358.11398438
Monoisotopic Mass358.11398438
Topological Polar Surface Area70.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity441
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