Products for Research Use Only
RegisterLogin

ML604086

CAT: 0931-T16111-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T16111-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
850330-18-6
Target
CCR
Related Pathways
Immunology/Inflammation, Microbiology/Virology, GPCR/G Protein
Purity
0.9991
Bioactivity
ML604086 suppresses CCL1 mediated chemotaxis and enhances intracellular Ca2 concentrations. ML604086 is a selective inhibitor of CCR8. It also inhibiting CCL1 binding to CCR8 on circulating T-cells.
Smiles
C[C@H](N)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)[C@H](C)C1
Molecular Formula
C27H32N4O4S
Molecular Weight
508.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperidinyl]amino]sulfonyl]-1-naphthalenyl]-2-methyl-
CAS Number850330-18-6
PubChem CID57564362
IUPAC NameN-[4-[[(3R,4R)-1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular FormulaC27H32N4O4S
Molecular Weight508.6
XLogP3.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity891
SMILES
C[C@@H]1CN(CC[C@H]1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C)C(=O)[C@H](C)N
InChI
InChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-13-25(22-11-7-6-10-21(22)24)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18-,19+,23-/m1/s1
InChIKey
FABRBEGQMXBELT-SELNLUPBSA-N
Chemical Structure
2D Structure
2D structure of Piperidinyl]amino]sulfonyl]-1-naphthalenyl]-2-methyl-
CAS: 850330-18-6
CID: 57564362
Formula: C27H32N4O4S
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass508.21442669
Monoisotopic Mass508.21442669
Topological Polar Surface Area130 Ų
Heavy Atom Count36
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-124416-01ML604086
A18969-1ML604086 1mg
A18969-25ML604086 25mg
A18969-5ML604086 5mg
A18969-100ML604086 100mg
A18969-50ML604086 50mg
A18969-10ML604086 10mg
A18969-10mM-DML604086 10mM * 1mL in DMSO

Popular Products