Products for Research Use Only
RegisterLogin

PGD2-IN-1

CAT: 0926-KKB06667-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-KKB06667-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
885066-67-1
MDL Number
MFCD30721575
Smiles
CC (C) (C1=CC=CC (=C1) C2=CC (=NC (=N2) OC) NCCC3=C (C=C (C=C3) Cl) Cl) C (=O) O
Molecular Formula
C23H23Cl2N3O3
Molecular Weight
460.35 g/mol
Controlled
No

Chemical Information

Pgd2-IN-1
CAS Number885066-67-1
PubChem CID11669780
IUPAC Name2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.3
XLogP6.1
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
CC(C)(C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C23H23Cl2N3O3/c1-23(2,21(29)30)16-6-4-5-15(11-16)19-13-20(28-22(27-19)31-3)26-10-9-14-7-8-17(24)12-18(14)25/h4-8,11-13H,9-10H2,1-3H3,(H,29,30)(H,26,27,28)
InChIKey
FJKKCRCBBAXLQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pgd2-IN-1
CAS: 885066-67-1
CID: 11669780
Formula: C23H23Cl2N3O3
MW: 460.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.3
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass459.1116470
Monoisotopic Mass459.1116470
Topological Polar Surface Area84.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
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
OF59775-011,1,1,1,1-Kestoheptaose
OK59466-011,1,1,1-Kestohexose
IFA69273-011-Iodobicyclo[1.1.1]pentane
AAA918001,1,1-Trichloroacetone
FT77421-011,1,1-Trifluorobutane
DFA88480-011-Bromobicyclo[1.1.1]pentane
OK32473-011,1,1-Kestopentaose
FT78177-011,1,1-Trifluoronitroethane
FB33678-011,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid
VCA80391Tetranor-pgdm

Alternative Products

CatalogName
T4624-01PGD2-IN-1
A20451-10PGD2-IN-1 10mg
A20451-500PGD2-IN-1 500mg
A20451-100PGD2-IN-1 100mg
A20451-50PGD2-IN-1 50mg
A20451-5PGD2-IN-1 5mg
A20451-1PGD2-IN-1 1mg
A20451-25PGD2-IN-1 25mg
MBS3609223-01PGD2-inhibitor
HY-113264-01PGD2 ethanolamide

Popular Products