Products for Research Use Only
RegisterLogin

TBOPP

CAT: 0931-T13098-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T13098-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1996629-79-8
Target
Others
Related Pathways
Others
Purity
0.9979
Bioactivity
TBOPP is a selective DOCK1 inhibitor (IC50 : 8.4 μM), with anti-tumor activity for broader types of tumors.
Smiles
FC(F)(F)c1cccc(c1)-c1ccc(cc1)C(=O)Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1
Molecular Formula
C24H21F3N2O4S
Molecular Weight
490.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tbopp
CAS Number1996629-79-8
PubChem CID122508151
IUPAC Name1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.5
XLogP3.7
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity940
SMILES
C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H21F3N2O4S/c25-24(26,27)20-5-3-4-19(14-20)17-6-8-18(9-7-17)22(30)16-28-15-21(10-11-23(28)31)34(32,33)29-12-1-2-13-29/h3-11,14-15H,1-2,12-13,16H2
InChIKey
ZMPDEBWNVHAKBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tbopp
CAS: 1996629-79-8
CID: 122508151
Formula: C24H21F3N2O4S
MW: 490.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass490.11741282
Monoisotopic Mass490.11741282
Topological Polar Surface Area83.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity940
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
S0978-01TBOPP

Popular Products