Products for Research Use Only
RegisterLogin

ML301

CAT: 0804-HY-178725Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-178725Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML301 is a small molecule G-protein agonist. ML301 can be inhibited by SR142948A with an IC50 of around 63 nM. ML301 fully competes for 125I-NT binding[1].
CAS Number
1531633-84-7
UNSPSC
12352005
Target
GPR35
Related Pathways
GPCR/G Protein
Field of Research
Others
Smiles
CC(C)C[C@@H](C(O)=O)NC(C1=CN(C2=CC=NC3=C2C=CC(Cl)=C3)C(C4=C(C=CC=C4OC)OC)=N1)=O
Molecular Formula
C27H27ClN4O5
Molecular Weight
522.98
References & Citations
[1]Barak LS, et al., ML314: A Biased Neurotensin Receptor Ligand for Methamphetamine Abuse. ACS Chem Biol. 2016 Jul 15;11 (7) :1880-90.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 49837912
CAS Number1531633-84-7
PubChem CID49837912
IUPAC Name(2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
Molecular FormulaC27H27ClN4O5
Molecular Weight523.0
XLogP5.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity776
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C1=CN(C(=N1)C2=C(C=CC=C2OC)OC)C3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1
InChIKey
OUZUXYQXCXYGMX-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of CID 49837912
CAS: 1531633-84-7
CID: 49837912
Formula: C27H27ClN4O5
MW: 523.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.0
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass522.1669977
Monoisotopic Mass522.1669977
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity776
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
HY-126136-01ML303
HY-121916ML309
HY-101839-01ML381
HY-101778-01ML311
HY-157728-01ML307
HY-111310-01ML351

Alternative Products

CatalogName
GTR19274539-01ML301

Popular Products