Products for Research Use Only
RegisterLogin

AHR antagonist 1

CAT: 0926-MLD98211-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MLD98211-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2162982-11-6
MDL Number
MFCD31736303
Smiles
C[C@@H] (CO) NC (=O) C1=CC (=NN (C1=O) C2=CC (=CC=C2) F) C3=CC=C (C=C3) Cl
Molecular Formula
C20H17ClFN3O3
Molecular Weight
401.82 g/mol
Controlled
No

Chemical Information

(S)-6-(4-Chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
CAS Number2162982-11-6
PubChem CID132168144
IUPAC Name6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-oxopyridazine-4-carboxamide
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.8
XLogP3.5
Topological Polar Surface Area82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity661
SMILES
C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClFN3O3/c1-12(11-26)23-19(27)17-10-18(13-5-7-14(21)8-6-13)24-25(20(17)28)16-4-2-3-15(22)9-16/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1
InChIKey
RFGRNBWAUZSMBN-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (S)-6-(4-Chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
CAS: 2162982-11-6
CID: 132168144
Formula: C20H17ClFN3O3
MW: 401.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.8
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass401.0942473
Monoisotopic Mass401.0942473
Topological Polar Surface Area82 Ų
Heavy Atom Count28
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
NTD74754-01Ahr antagonist 2
EHC37554-01H4R antagonist 1
DQC74191-01Sstr5 antagonist 1
RDB35486CCR5 antagonist 1
AVA79488-01Tr antagonist 1
AUA46657-01Glp-1 antagonist
CRB1000562-01PAR-1 Antagonist
GSA04019Adenosine antagonist-1
VND16206-01NMDAR antagonist 1
EFC44554-01CRTh2 antagonist 1

Alternative Products

CatalogName
TBI2441-250MGPranlukast, Leukotriene CysLT1 antagonist; GPR17 antagonist
TBI2597-50MGMontelukast, Leukotriene CysLT1 antagonist; GPR17 antagonist
cyt-538-01chGH Antagonist
cyt-215-01oGH Antagonist
4031352.0500VIP Antagonist
H-8650.0005PDGF Antagonist
254641Antagonist G
T36127-01TNF-α Antagonist
sc-221406BCCR4 Antagonist
GTR19133940-01Resistin Antagonist

Popular Products