Lanifibranor

CAT: 0926-CMB96118-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-CMB96118-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

927961-18-0

MDL Number

MFCD31619253

Smiles

C1=CC2=C (C=C1S (=O) (=O) N3C4=C (C=C (C=C4) Cl) C=C3CCCC (=O) O) SC=N2

Molecular Formula

C19H15ClN2O4S2

Molecular Weight

434.92 g/mol

Controlled

Chemical Information

Lanifibranor

Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).

CAS Number	927961-18-0
PubChem CID	68677842
IUPAC Name	4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
Molecular Formula	C19H15ClN2O4S2
Molecular Weight	434.9
XLogP	4.5
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	686

SMILES

C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2

InChI

InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)

InChIKey

OQDQIFQRNZIEEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 927961-18-0

CID: 68677842

Formula: C19H15ClN2O4S2

MW: 434.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	434.9
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	434.0161770
Monoisotopic Mass	434.0161770
Topological Polar Surface Area	126 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes