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Screening compounds

Dooku1

Also known as 2-((2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole, 2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole, 2-[(2,6-Dichlorobenzyl)thio]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

CAS 2253744-54-4Formula C13H9Cl2N3OSMolar mass 326.21 g/mol
1 supplier listed
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Dooku1 chemical structure, C13H9Cl2N3OS, CAS 2253744-54-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2253744-54-4
Formula
C13H9Cl2N3OS
Molar mass
326.21 g/mol
HS code
293499
Category
Screening compounds

What is Dooku1?

Plain description, key identifiers and synonyms

Dooku1 is a chemical substance with the molecular formula C13H9Cl2N3OS and a molar mass of 326.21 g/mol. Its CAS registry number is 2253744-54-4. The IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
CAS number
2253744-54-4
Molecular formula
C13H9Cl2N3OS
MDL number
MFCD32174346
InChIKey
MNPOBXLPCWFONX-UHFFFAOYSA-N
InChI
InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2
SMILES (canonical and isomeric)
C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=CN3)Cl

Synonyms

  • 2-((2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
  • 2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
  • 2-[(2,6-Dichlorobenzyl)thio]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
  • Dooku 1
  • 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
  • 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
  • 2-((2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4- oxadiazole
  • Dooku-1
  • 2-((2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-
  • 2-((26-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-134-oxadiazole
  • 2-((2,6-dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol

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
326.21 g/molcalc.
Exact mass
324.9843 Dacalc.
LogP (octanol/water)
4.66calc.
Topological polar surface area
54.71 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.08calc.
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, c1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1

c1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1

3 rings, 18 atoms.

1 other chemical 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.

Dooku1 suppliers

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  • Hello Bio
    United Kingdom, AvonmouthUnclaimed profile
    Dooku1Grade, purity and minimum order on request
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Dooku1 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 Dooku1 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Dooku1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dooku1, based on the data on this page

What is Dooku1?

Dooku1 is a chemical substance with the molecular formula C13H9Cl2N3OS and a molar mass of 326.21 g/mol. Its CAS registry number is 2253744-54-4. The IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.

What is the CAS number of Dooku1?

The CAS registry number of Dooku1 is 2253744-54-4.

What is the molecular formula and weight of Dooku1?

The molecular formula of Dooku1 is C13H9Cl2N3OS and its molar mass is 326.21 g/mol.

What is Dooku1 used for?

Known uses and roles of Dooku1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dooku1 hazardous?

No GHS hazard classification for Dooku1 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 Dooku1?

Dooku1 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dooku1?

CompoundList lists 1 supplier of Dooku1 in United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dooku1?

Suppliers quote Dooku1 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

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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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