Products for Research Use Only
RegisterLogin

ML 289

CAT: 0607-B5783-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B5783-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
negative allosteric modulator of mGlu3 receptors
CAS Number
1382481-79-9
Product Name Alternative
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((4-methoxyphenyl)ethynyl)phenyl)methanone
Field of Research
Neuroscience GluR
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
OC[C@@H]1CCCN(C(C2=CC=C(C#CC(C=C3)=CC=C3OC)C=C2)=O)C1
Molecular Formula
C22H23NO3
Molecular Weight
349.42
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

[(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol
CAS Number1382481-79-9
PubChem CID56587994
IUPAC Name[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
Molecular FormulaC22H23NO3
Molecular Weight349.4
XLogP3.4
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)N3CCC[C@H](C3)CO
InChI
InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
InChIKey
VSLWUPHHCFQTDB-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of [(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol
CAS: 1382481-79-9
CID: 56587994
Formula: C22H23NO3
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass349.16779360
Monoisotopic Mass349.16779360
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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
C4813-5ML-243
B5700-50ML SA1
B4933-50ML 348
BA7370-5ML-792
B5786-50ML 337
B7604-10ML 145
B5702-25ML 221
B5700-10ML SA1
B5702-50ML 221
A4508-100ML 228

Alternative Products

CatalogName
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products