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BMS 193885

CAT: 0607-B7327-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7327-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Competitive NPY Y1 receptor antagonist
CAS Number
679839-66-8
Product Name Alternative
(S)-2-hydroxypropanoic acid compound with (Z)-N-(3-(3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl)-N'-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)carbamimidic acid (1:1)
Field of Research
GPCR G protein NPY Receptors
Purity
0.98
Form
Pale yellow solid
Solubility
<68.08mg/ml in DMSO; <13.62mg/ml in H2O
Smiles
CC(N1)=C(C(OC)=O)C(C(C(OC)=O)=C1C)C2=CC(N/C(O)=N/CCCN3CCC(C4=CC(OC)=CC=C4)CC3)=CC=C2.C[C@@](O)([H])C(O)=O
Molecular Formula
C33H42N4O6·C3H6O3
Molecular Weight
680.79
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acid
CAS Number679839-66-8
PubChem CID56972234
IUPAC Namedimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acid
Molecular FormulaC36H48N4O9
Molecular Weight680.8
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count49
Formal Charge0
Complexity1070
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC.C[C@@H](C(=O)O)O
InChI
InChI=1S/C33H42N4O6.C3H6O3/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3;1-2(4)3(5)6/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40);2,4H,1H3,(H,5,6)/t;2-/m.0/s1
InChIKey
BYHJIPSVXAFCDI-WNQIDUERSA-N
Chemical Structure
2D Structure
2D structure of dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acid
CAS: 679839-66-8
CID: 56972234
Formula: C36H48N4O9
MW: 680.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass680.34212912
Monoisotopic Mass680.34212912
Topological Polar Surface Area176 Ų
Heavy Atom Count49
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T22608-01BMS 193885
MBS3615247-01BMS-193885
A18740-5BMS-193885 5mg
A18740-10BMS-193885 10mg
A18740-1BMS-193885 1mg
A18740-100BMS-193885 100mg
A18740-50BMS-193885 50mg
A18740-25BMS-193885 25mg
A18740-10mM-DBMS-193885 10mM * 1mL in DMSO
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