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L-771688 tartrate

CAT: 0013-GTR19223419-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223419-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
L-771688 tartrate is a bioactive small molecule compound for research use. It serves as a tool compound in pharmacological studies, with applications in both in vitro assays and in vivo experimental models to investigate biological pathways.
CAS Number
220497-97-2
Smiles
[C@@H] ([C@H] (C (O) =O) O) (C (O) =O) O.C (OC) (=O) C=1[C@@H] (N (C (NCCCN2CCC (CC2) C3=CC=CC=N3) =O) C (=O) NC1COC) C4=CC (F) =C (F) C=C4
Molecular Formula
C32H39F2N5O11
Molecular Weight
707.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Pyrimidinecarboxylic acid, 6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-1-(((3-(4-(2-pyridinyl)-1-piperidinyl)propyl)amino)carbonyl)-, methyl ester, (6S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Number220497-97-2
PubChem CID131801078
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate
Molecular FormulaC32H39F2N5O11
Molecular Weight707.7
Topological Polar Surface Area228
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count50
Formal Charge0
Complexity1060
SMILES
COCC1=C([C@@H](N(C(=O)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC(=C(C=C4)F)F)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C28H33F2N5O5.C4H6O6/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22;5-1(3(7)8)2(6)4(9)10/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38);1-2,5-6H,(H,7,8)(H,9,10)/t25-;1-,2-/m01/s1
InChIKey
JZGFQNUZPKINEE-FUTSCGIJSA-N
Chemical Structure
2D Structure
2D structure of 5-Pyrimidinecarboxylic acid, 6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-1-(((3-(4-(2-pyridinyl)-1-piperidinyl)propyl)amino)carbonyl)-, methyl ester, (6S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS: 220497-97-2
CID: 131801078
Formula: C32H39F2N5O11
MW: 707.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight707.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass707.26141340
Monoisotopic Mass707.26141340
Topological Polar Surface Area228 Ų
Heavy Atom Count50
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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