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Heterocyclic building blocks

Dock2-IN-1

Also known as (4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione, 4-[(2-chlorophenyl)methylene]-1-phenyl-1,2-diazolidine-3,5-dione, (4E)-4-[(2-chlorophenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione

CAS 4590-86-7Formula C16H11ClN2O2Molar mass 298.73 g/mol
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Dock2-IN-1 chemical structure, C16H11ClN2O2, CAS 4590-86-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4590-86-7
Formula
C16H11ClN2O2
Molar mass
298.73 g/mol
HS code
293319
Category
Heterocyclic building blocks

What is Dock2-IN-1?

Plain description, key identifiers and synonyms

Dock2-IN-1 is a chemical substance with the molecular formula C16H11ClN2O2 and a molar mass of 298.73 g/mol. Its CAS registry number is 4590-86-7. The IUPAC name is (4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CAS number
4590-86-7
Molecular formula
C16H11ClN2O2
InChIKey
VEBASGXAFMQOLL-JLHYYAGUSA-N
InChI
InChI=1S/C16H11ClN2O2/c17-14-9-5-4-6-11(14)10-13-15(20)18-19(16(13)21)12-7-2-1-3-8-12/h1-10H,(H,18,20)/b13-10+
Canonical SMILES
O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1Cl
Isomeric SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3Cl)/C(=O)N2

Synonyms

  • (4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
  • 4-[(2-chlorophenyl)methylene]-1-phenyl-1,2-diazolidine-3,5-dione
  • (4E)-4-[(2-chlorophenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione

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
298.73 g/molcalc.
Exact mass
298.0509 Dacalc.
LogP (octanol/water)
2.8calc.
Topological polar surface area
49.41 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1

O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1

3 rings, 20 atoms.

127 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.

Dock2-IN-1 suppliers

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Dock2-IN-1 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

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 Dock2-IN-1 is traded under.

HS 2933.19Indicative HS code

Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Dock2-IN-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dock2-IN-1, based on the data on this page

What is Dock2-IN-1?

Dock2-IN-1 is a chemical substance with the molecular formula C16H11ClN2O2 and a molar mass of 298.73 g/mol. Its CAS registry number is 4590-86-7. The IUPAC name is (4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.

What is the CAS number of Dock2-IN-1?

The CAS registry number of Dock2-IN-1 is 4590-86-7.

What is the molecular formula and weight of Dock2-IN-1?

The molecular formula of Dock2-IN-1 is C16H11ClN2O2 and its molar mass is 298.73 g/mol.

What is Dock2-IN-1 used for?

Known uses and roles of Dock2-IN-1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dock2-IN-1 hazardous?

No GHS hazard classification for Dock2-IN-1 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 Dock2-IN-1?

Dock2-IN-1 is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dock2-IN-1?

Post a free request on CompoundList and suppliers of Dock2-IN-1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dock2-IN-1?

Suppliers quote Dock2-IN-1 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 Dock2-IN-1

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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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