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AM966

CAT: 0607-A3170-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3170-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LPA1 antagonist, oral active, high affinity, selective,
CAS Number
1228690-19-4
Product Name Alternative
2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
Sequence
AM 966;AM-966
Field of Research
GPCR G protein LPA Receptor
Purity
0.9969
Form
A solid
Solubility
≥24.55 mg/mL in DMSO; insoluble in H2O; ≥2.24 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O
Molecular Formula
C27H23ClN2O5
Molecular Weight
490.93
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

AM-966
CAS Number1228690-19-4
PubChem CID46240292
IUPAC Name2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
Molecular FormulaC27H23ClN2O5
Molecular Weight490.9
XLogP5.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity708
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1
InChIKey
WWQTWEWAPUCDDZ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of AM-966
CAS: 1228690-19-4
CID: 46240292
Formula: C27H23ClN2O5
MW: 490.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.9
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass490.1295495
Monoisotopic Mass490.1295495
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity708
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

Alternative Products

CatalogName
GTR19170367-01AM966
A13982-100AM966 100mg
A13982-200AM966 200mg
A13982-50AM966 50mg
A13982-25AM966 25mg
A13982-10AM966 10mg
A13982-5AM966 5mg
A13982-10mM-DAM966 10mM * 1mL in DMSO

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