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Screening compounds

Dofequidar

Also known as 1-(Diphenylacetyl)-4-((2RS)-2-hydroxy-3-(5-quinolyloxy)propyl)piperazine, 1-(4-(2-hydroxy-3-(quinolin-5-yloxy)propyl)piperazin-1-yl)-2,2-diphenylethan-1-one, 1-{4-[2-hydroxy-3-(quinolin-5-yloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one

CAS 129716-58-1Formula C30H31N3O3Molar mass 481.60 g/mol
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Dofequidar chemical structure, C30H31N3O3, CAS 129716-58-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
129716-58-1
Formula
C30H31N3O3
Molar mass
481.60 g/mol
HS code
293359
Category
Screening compounds

What is Dofequidar?

Plain description, key identifiers and synonyms

Dofequidar is an orally-available synthetic quinoline derivative with multidrug resistance modulating properties. Dofequidar binds to the drug-binding site of the transmembrane P-glycoprotein efflux pump and is preferentially transported from the cell, thereby blocking the efflux of other therapeutic agents.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
CAS number
129716-58-1 CAS number cross-checked
Molecular formula
C30H31N3O3
UNII
0BJK6B565B
MDL number
MFCD09838435
InChIKey
KLWUUPVJTLHYIM-UHFFFAOYSA-N
InChI
InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2
SMILES (canonical and isomeric)
C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Synonyms

  • 1-(Diphenylacetyl)-4-((2RS)-2-hydroxy-3-(5-quinolyloxy)propyl)piperazine
  • 1-(4-(2-hydroxy-3-(quinolin-5-yloxy)propyl)piperazin-1-yl)-2,2-diphenylethan-1-one
  • 1-{4-[2-hydroxy-3-(quinolin-5-yloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one
  • dofequidarum
  • 5-(3-(4-(2,2-Diphenylacetyl)piperazin-1-yl)-2-hydroxypropoxy)quinoline
  • 1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
  • 5-[3-{4-(2,2diphenylacetyl)piperazin-1-yl}-2- hydroxypropoxy]quinoline
  • 1-(4-(2-Hydroxy-3-(5-quinolyloxy)propyl)piperazin-1-yl)-2,2-diphenylethan-1-one
  • 1-(4-{2-Hydroxy-3-[(quinolin-5-yl)oxy]propyl}piperazin-1-yl)-2,2-diphenylethan-1-one
  • 1-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]-2,2-diphenyl-ethanone
  • 1-Piperazineethanol, 4-(diphenylacetyl)-alpha-((5-quinolinyloxy)methyl)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
481.60 g/molcalc.
Exact mass
481.2365 Dacalc.
LogP (octanol/water)
3.95calc.
Topological polar surface area
65.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCOc2cccc3ncccc23)CC1

O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCOc2cccc3ncccc23)CC1

5 rings, 35 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Dofequidar suppliers

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Dofequidar price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dofequidar is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dofequidar is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dofequidar, based on the data on this page

What is Dofequidar?

Dofequidar is an orally-available synthetic quinoline derivative with multidrug resistance modulating properties. Dofequidar binds to the drug-binding site of the transmembrane P-glycoprotein efflux pump and is preferentially transported from the cell, thereby blocking the efflux of other therapeutic agents.

What is the CAS number of Dofequidar?

The CAS registry number of Dofequidar is 129716-58-1.

What is the molecular formula and weight of Dofequidar?

The molecular formula of Dofequidar is C30H31N3O3 and its molar mass is 481.60 g/mol.

What is Dofequidar used for?

Known uses and roles of Dofequidar include building blocks in research and laboratory, screening compounds in research and laboratory and antineoplastic agents.

Is Dofequidar hazardous?

No GHS hazard classification for Dofequidar is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dofequidar?

Dofequidar is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dofequidar?

Post a free request on CompoundList and suppliers of Dofequidar will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dofequidar?

Suppliers quote Dofequidar on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dofequidar

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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