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Screening compounds

Zenarestat

Also known as Zenarestatum, FR 74366, Fk366

CAS 112733-06-9Formula C17H11BrClFN2O4Molar mass 441.64 g/mol
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Zenarestat chemical structure, C17H11BrClFN2O4, CAS 112733-06-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
112733-06-9
Formula
C17H11BrClFN2O4
Molar mass
441.64 g/mol
HS code
293359
Category
Screening compounds

What is Zenarestat?

Plain description, key identifiers and synonyms

Zenarestat is a chemical substance with the molecular formula C17H11BrClFN2O4 and a molar mass of 441.64 g/mol. Its CAS registry number is 112733-06-9. The IUPAC name is 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
CAS number
112733-06-9 CAS number cross-checked
Molecular formula
C17H11BrClFN2O4
UNII
180C9PJ8JT
MDL number
MFCD00865809
InChIKey
SXONDGSPUVNZLO-UHFFFAOYSA-N
InChI
InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
SMILES (canonical and isomeric)
C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

Synonyms

  • Zenarestatum
  • FR 74366
  • Fk366
  • 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
  • 2-(3-((4-bromo-2-fluorophenyl)methyl)-7-chloro-2,4-dioxoquinazolin-1-yl)acetic acid
  • [3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl]acetic acid
  • 2-(3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetic acid
  • 3-(4-Bromo-2-fluorobenzyl)-7-chloro-3,4-dihydro-2,4-dioxo-1(2H)-quinazolineacetic acid
  • [3-(4-Bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl]-acetic acid
  • FK 366
  • 1(2H)-Quinazolineacetic acid, 3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-2,4-dioxo-
  • Zenarestat (USAN/INN)
  • CI 1014
  • 2-[3-(4-Bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetic Acid
  • 1(2H)-Quinazolineaceticacid, 3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-2,4-dioxo-
  • 2-(7-Chloro-3-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazolin)-1-acetic acid
  • (3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetic acid
  • ZES
  • 1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-7-chloro-2,4-dioxo-
  • 2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetic acid
  • 3-((4-Bromo-2-fluorophenyl)methyl)-7-chloro-3,4-dihydro-2,4-dioxo-1(2H)-quinazolineacetic acid
  • (3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl)acetic acid
  • {3-[(4-Bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetic acid
  • 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]-acetic acid
  • 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]acetic acid

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
441.64 g/molcalc.
Exact mass
439.9575 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
81.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.12calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1

O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1

3 rings, 19 atoms, the 3-Benzylquinazoline-2,4(1H,3H)-dione ring system.

45 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.

Zenarestat suppliers

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Zenarestat 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

  • Enzyme Inhibitors

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 Zenarestat 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 Zenarestat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Zenarestat?

Zenarestat is a chemical substance with the molecular formula C17H11BrClFN2O4 and a molar mass of 441.64 g/mol. Its CAS registry number is 112733-06-9. The IUPAC name is 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid.

What is the CAS number of Zenarestat?

The CAS registry number of Zenarestat is 112733-06-9.

What is the molecular formula and weight of Zenarestat?

The molecular formula of Zenarestat is C17H11BrClFN2O4 and its molar mass is 441.64 g/mol.

What is Zenarestat used for?

Known uses and roles of Zenarestat include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory and enzyme inhibitors.

Is Zenarestat hazardous?

No GHS hazard classification for Zenarestat 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 Zenarestat?

Zenarestat 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 Zenarestat?

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What is the price of Zenarestat?

Suppliers quote Zenarestat 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 Zenarestat

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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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