Products for Research Use Only
RegisterLogin

ML-031

CAT: 0931-T22101-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T22101-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
852230-33-2
Target
LPL Receptor, S1P Receptor
Related Pathways
GPCR/G Protein
Purity
0.9921
Bioactivity
ML-031 activated S1P2 with an EC50 value of 1 μM in an S1P reporter assay.
Smiles
Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
Molecular Formula
C19H20N2O3
Molecular Weight
324.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione is an aromatic ketone.

CAS Number852230-33-2
PubChem CID2113511
IUPAC Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
Molecular FormulaC19H20N2O3
Molecular Weight324.4
XLogP1.7
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity497
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O
InChI
InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKey
JRESCQKIRPOOEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CAS: 852230-33-2
CID: 2113511
Formula: C19H20N2O3
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass324.14739250
Monoisotopic Mass324.14739250
Topological Polar Surface Area59.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity497
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
TP2528-01ACE-031
T9901A-1681-01EBI-031
T78277ATG-031
T89533-01SMIP-031
TMPY-00262-01Influenza A H11N2 (A/thick-billed murre/Newfoundland/031/2007) Hemagglutinin/HA1 Protein (His)
TMPY-04323-01Influenza A H11N2 (A/thick-billed murre/Newfoundland/031/2007) Hemagglutinin/HA Protein (His)
T22990ML-090
T22999-01ML-243
T22998-01ML-233
T8966-01ML-298

Alternative Products

CatalogName
MBS5773239ML-031
ACE 031ACE 031
HY-163782-01SMIP-031
HY-P99176-01ATG-031
HY-P990581ELB-031
AE1ACE-031
HY-179256U-031
G004-01ACE-031,95%
MBS3606971CHMFL-KIT-031
GTR18399235ATG-031 Antibody

Popular Products