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ALV1

CAT: 0013-GTR19185320-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185320-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ALV1
CAS Number
2438124-79-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.86% (May vary between batches)
Smiles
O=C1C=C (NC2=CC=CC (=C2) CCC (=O) NC3=CC=C (C (Cl) =C3) C) C (=O) N1C4C (=O) NC (=O) CC4
Molecular Formula
C25H23ClN4O5
Molecular Weight
494.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-chloro-4-methylphenyl)-3-(3-{[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}phenyl)propanamide
CAS Number2438124-79-7
PubChem CID146628546
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
Molecular FormulaC25H23ClN4O5
Molecular Weight494.9
XLogP2.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity922
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=CC=C2)NC3=CC(=O)N(C3=O)C4CCC(=O)NC4=O)Cl
InChI
InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)
InChIKey
YDYSAFPHVGVORZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-chloro-4-methylphenyl)-3-(3-{[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}phenyl)propanamide
CAS: 2438124-79-7
CID: 146628546
Formula: C25H23ClN4O5
MW: 494.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.9
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass494.1356975
Monoisotopic Mass494.1356975
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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