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IVL-984

CAT: 0013-GTR19210281-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210281-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IVL-984 is a selective small molecule inhibitor targeting the VLA-4 integrin. It is a valuable research tool for investigating cell adhesion and migration in immunological and inflammatory processes, applicable in both in vitro cellular assays and in vivo disease model studies.
CAS Number
224634-99-5
Smiles
N (C (NC1=C (C) C=CC=C1) =O) C2=C (OC) C=C (CC (NC3=CC=C ([C@H] (NC (CCCC (O) =O) =O) CC (O) =O) C=C3) =O) C=C2
Molecular Formula
C31H34N4O8
Molecular Weight
590.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ivl-984

structure in first source

CAS Number224634-99-5
PubChem CID54380055
IUPAC Name5-[[(1R)-2-carboxy-1-[4-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]ethyl]amino]-5-oxopentanoic acid
Molecular FormulaC31H34N4O8
Molecular Weight590.6
XLogP2
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity954
SMILES
CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC3=CC=C(C=C3)[C@@H](CC(=O)O)NC(=O)CCCC(=O)O)OC
InChI
InChI=1S/C31H34N4O8/c1-19-6-3-4-7-23(19)34-31(42)35-24-15-10-20(16-26(24)43-2)17-28(37)32-22-13-11-21(12-14-22)25(18-30(40)41)33-27(36)8-5-9-29(38)39/h3-4,6-7,10-16,25H,5,8-9,17-18H2,1-2H3,(H,32,37)(H,33,36)(H,38,39)(H,40,41)(H2,34,35,42)/t25-/m1/s1
InChIKey
UZGSBQOGNGIHDO-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Ivl-984
CAS: 224634-99-5
CID: 54380055
Formula: C31H34N4O8
MW: 590.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.6
XLogP32
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass590.23766406
Monoisotopic Mass590.23766406
Topological Polar Surface Area183 Ų
Heavy Atom Count43
Formal Charge0
Complexity954
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

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