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Screening compounds

Pitenodil

Also known as pitenodilum, 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate, 2-(4-(3-(2-Thenoyl)propyl)-1-piperazinyl)ethyl dimethylcarbamate

CAS 59840-71-0Formula C17H27N3O3SMolar mass 353.49 g/mol
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Pitenodil chemical structure, C17H27N3O3S, CAS 59840-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59840-71-0
Formula
C17H27N3O3S
Molar mass
353.49 g/mol
HS code
293499
Category
Screening compounds

What is Pitenodil?

Plain description, key identifiers and synonyms

Pitenodil is a chemical substance with the molecular formula C17H27N3O3S and a molar mass of 353.49 g/mol. Its CAS registry number is 59840-71-0. The IUPAC name is 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate
CAS number
59840-71-0 CAS number cross-checked
Molecular formula
C17H27N3O3S
UNII
ZIB93J9J6L
InChIKey
KODWJTJZIKCBSV-UHFFFAOYSA-N
InChI
InChI=1S/C17H27N3O3S/c1-18(2)17(22)23-13-12-20-10-8-19(9-11-20)7-3-5-15(21)16-6-4-14-24-16/h4,6,14H,3,5,7-13H2,1-2H3
SMILES (canonical and isomeric)
CN(C)C(=O)OCCN1CCN(CC1)CCCC(=O)C2=CC=CS2

Synonyms

  • pitenodilum
  • 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate
  • 2-(4-(3-(2-Thenoyl)propyl)-1-piperazinyl)ethyl dimethylcarbamate
  • 2-{4-[4-Oxo-4-(thiophen-2-yl)butyl]piperazin-1-yl}ethyl dimethylcarbamate

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
353.49 g/molcalc.
Exact mass
353.1773 Dacalc.
LogP (octanol/water)
2.03calc.
Topological polar surface area
53.09 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
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=C(CCCN1CCNCC1)c1cccs1

O=C(CCCN1CCNCC1)c1cccs1

2 rings, 16 atoms.

No other chemical in our database has 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.

Pitenodil suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

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Pitenodil price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Pitenodil?

Pitenodil is a chemical substance with the molecular formula C17H27N3O3S and a molar mass of 353.49 g/mol. Its CAS registry number is 59840-71-0. The IUPAC name is 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate.

What is the CAS number of Pitenodil?

The CAS registry number of Pitenodil is 59840-71-0.

What is the molecular formula and weight of Pitenodil?

The molecular formula of Pitenodil is C17H27N3O3S and its molar mass is 353.49 g/mol.

What is Pitenodil used for?

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

Is Pitenodil hazardous?

No GHS hazard classification for Pitenodil 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 Pitenodil?

Pitenodil 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 Pitenodil?

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

What is the price of Pitenodil?

Suppliers quote Pitenodil 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 Pitenodil

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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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