Products for Research Use Only
RegisterLogin

Sf0166

CAT: 1299-RG-A261281-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RG-A261281-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1621332-91-9
Synonyms
(S) -3- (6- (difluoromethoxy) pyridin-3-yl) -3- (2-oxo-3- (3- (1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl) propyl) imidazolidin-1-yl) propanoic acid
Molecular Formula
C23H27F2N5O4
Molecular Weight
475.5
Product Name Synonym
(S) -3- (6- (difluoromethoxy) pyridin-3-yl) -3- (2-oxo-3- (3- (1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl) propyl) imidazolidin-1-yl) propanoic acid

Chemical Information

Nesvategrast

Nesvategrast is under investigation in clinical trial NCT05409235 (Nesvategrast (OTT166) in Diabetic Retinopathy (DR)).

CAS Number1621332-91-9
PubChem CID76899969
IUPAC Name(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
Molecular FormulaC23H27F2N5O4
Molecular Weight475.5
XLogP2.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity702
SMILES
C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)[C@@H](CC(=O)O)C4=CN=C(C=C4)OC(F)F
InChI
InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1
InChIKey
IGUVQCZYMKVWFL-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Nesvategrast
CAS: 1621332-91-9
CID: 76899969
Formula: C23H27F2N5O4
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass475.20311068
Monoisotopic Mass475.20311068
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity702
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

Alternative Products

CatalogName
MBS3602385-01SF0166

Popular Products