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ONT-093

CAT: 0498-bs-7070C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7070C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
216227-54-2
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CCOC/C=C/C1C=CC(=CC=1)C1NC(=C(N=1)C1C=CC(=CC=1)NC(C)C)C1C=CC(=CC=1)NC(C)C
Molecular Formula
C32 H38 N4 O
Molecular Weight
494.67
InChI
InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27 (12-10-24) 32-35-30 (25-13-17-28 (18-14-25) 33-22 (2) 3) 31 (36-32) 26-15-19-29 (20-16-26) 34-23 (4) 5/h7-20,22-23,33-34H,6,21H2,1-5H3, (H,35,36) /b8-7+
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Ont-093

ONT-093 is an orally bioavailable inhibitor of P-glycoprotein (P-gp). In pre-clinical studies, ONT-093 could inhibit P-gp and reverse multidrug resistance at nM concentrations with no effect on paclitaxel pharmacokinetics.

CAS Number216227-54-2
PubChem CID6450807
IUPAC Name4-[2-[4-[(E)-3-ethoxyprop-1-enyl]phenyl]-4-[4-(propan-2-ylamino)phenyl]-1H-imidazol-5-yl]-N-propan-2-ylaniline
Molecular FormulaC32H38N4O
Molecular Weight494.7
XLogP7.3
Topological Polar Surface Area62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity658
SMILES
CCOC/C=C/C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)NC(C)C)C4=CC=C(C=C4)NC(C)C
InChI
InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+
InChIKey
RSJCLODJSVZNQA-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Ont-093
CAS: 216227-54-2
CID: 6450807
Formula: C32H38N4O
MW: 494.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
XLogP37.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass494.30456185
Monoisotopic Mass494.30456185
Topological Polar Surface Area62 Ų
Heavy Atom Count37
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6846-1ONT-093
A13531-25ONT-093 25mg
A13531-10ONT-093 10mg
A13531-5ONT-093 5mg
A13531-100ONT-093 100mg
A13531-50ONT-093 50mg
A13531-1ONT-093 1mg
BA7282-25ONT-993
sc-264494Xli 093
HY-101149YKL-05-093

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