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SUN11602

CAT: 0498-bs-6768C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6768C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
704869-38-5
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN(C1CCN(CC2C=CC(=CC=2)C(N)=O)CC1)C(=O)CNC1C(C)=C(C)C(N)=C(C)C=1C
Molecular Formula
C26 H37 N5 O2
Molecular Weight
451.6
InChI
InChI=1S/C26H37N5O2/c1-16-18 (3) 25 (19 (4) 17 (2) 24 (16) 27) 29-14-23 (32) 30 (5) 22-10-12-31 (13-11-22) 15-20-6-8-21 (9-7-20) 26 (28) 33/h6-9,22,29H,10-15,27H2,1-5H3, (H2,28,33)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

4-((4-(((4-Amino-2,3,5,6-tetramethylanilino)acetyl)(methyl)amino)-1-piperidinyl)methyl)benzamide

structure in first source

CAS Number704869-38-5
PubChem CID22245705
IUPAC Name4-[[4-[[2-(4-amino-2,3,5,6-tetramethylanilino)acetyl]-methylamino]piperidin-1-yl]methyl]benzamide
Molecular FormulaC26H37N5O2
Molecular Weight451.6
XLogP3.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity641
SMILES
CC1=C(C(=C(C(=C1N)C)C)NCC(=O)N(C)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)N)C
InChI
InChI=1S/C26H37N5O2/c1-16-18(3)25(19(4)17(2)24(16)27)29-14-23(32)30(5)22-10-12-31(13-11-22)15-20-6-8-21(9-7-20)26(28)33/h6-9,22,29H,10-15,27H2,1-5H3,(H2,28,33)
InChIKey
KCODNOOPOPTZMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((4-(((4-Amino-2,3,5,6-tetramethylanilino)acetyl)(methyl)amino)-1-piperidinyl)methyl)benzamide
CAS: 704869-38-5
CID: 22245705
Formula: C26H37N5O2
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass451.29472544
Monoisotopic Mass451.29472544
Topological Polar Surface Area105 Ų
Heavy Atom Count33
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-101493-01SUN11602
A20323-10SUN11602 10mg
A20323-100SUN11602 100mg
A20323-50SUN11602 50mg
A20323-25SUN11602 25mg
A20323-5SUN11602 5mg
A20323-10mM-DSUN11602 10mM * 1mL in DMSO

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