Products for Research Use Only
RegisterLogin

WO-459

CAT: 0013-GTR19208398-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19208398-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
WO-459
CAS Number
1313195-84-4
Smiles
C (C=1SC2=C (C=CC=C2C1) N3C=C (C (NCCO) =O) C (C) =N3) C4=CC (C (F) (F) F) =CC=C4
Molecular Formula
C23H20F3N3O2S
Molecular Weight
459.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-Hydroxyethyl)-3-methyl-1-[2-[3-(trifluoromethyl)benzyl]benzothiophen-7-yl]-1H-pyrazole-4-carboxamide
CAS Number1313195-84-4
PubChem CID69921074
IUPAC NameN-(2-hydroxyethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
Molecular FormulaC23H20F3N3O2S
Molecular Weight459.5
XLogP4.7
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity652
SMILES
CC1=NN(C=C1C(=O)NCCO)C2=CC=CC3=C2SC(=C3)CC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C23H20F3N3O2S/c1-14-19(22(31)27-8-9-30)13-29(28-14)20-7-3-5-16-12-18(32-21(16)20)11-15-4-2-6-17(10-15)23(24,25)26/h2-7,10,12-13,30H,8-9,11H2,1H3,(H,27,31)
InChIKey
OOXRLZNAKGXYGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxyethyl)-3-methyl-1-[2-[3-(trifluoromethyl)benzyl]benzothiophen-7-yl]-1H-pyrazole-4-carboxamide
CAS: 1313195-84-4
CID: 69921074
Formula: C23H20F3N3O2S
MW: 459.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass459.12283255
Monoisotopic Mass459.12283255
Topological Polar Surface Area95.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity652
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

Related Products

CatalogName
GTR19211225-01EP 459
GTR19192321XV 459
GTR19275920-01CRBN ligand-459
GTR17699312KDM2A (aa445-459) Antibody
GTR18986657KDM2A (aa445-459) Immunizing Peptide
GTR19187366-01D75-4590
GTR19259046-01BRD-4592

Alternative Products

CatalogName
MBS5813534WO-459
MBS5811287EP 459
MBS5784679XV 459
BITP1259RHuCD4 459
HY-W952683CRBN ligand-459
035050WO-50 AB Labels
035001WO-1 AB Labels
035024WO-24 AB Labels
035054WO-54 AB Labels
035041WO-41 AB Labels

Popular Products