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Screening compounds

PolQi2

Also known as N-(5-((5-Chloropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)isonicotinamide, US12509454, Compound 99, 4-Pyridinecarboxamide, N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)-

CAS 2565638-16-4Formula C21H16ClN5O3SMolar mass 453.91 g/mol
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PolQi2 chemical structure, C21H16ClN5O3S, CAS 2565638-16-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2565638-16-4
Formula
C21H16ClN5O3S
Molar mass
453.91 g/mol
HS code
293499
Category
Screening compounds

What is PolQi2?

Plain description, key identifiers and synonyms

PolQi2 is a chemical substance with the molecular formula C21H16ClN5O3S and a molar mass of 453.91 g/mol. Its CAS registry number is 2565638-16-4. The IUPAC name is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CAS number
2565638-16-4
Molecular formula
C21H16ClN5O3S
InChIKey
REZMONWROTVQHG-UHFFFAOYSA-N
InChI
InChI=1S/C21H16ClN5O3S/c1-29-18-5-3-2-4-15(18)17-11-23-9-8-16(17)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28)
SMILES (canonical and isomeric)
COC1=CC=CC=C1C2=C(C=CN=C2)C(=O)NC3=NN=C(S3)OCC4=NC=C(C=C4)Cl

Synonyms

  • N-(5-((5-Chloropyridin-2-yl)methoxy)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)isonicotinamide
  • US12509454, Compound 99
  • 4-Pyridinecarboxamide, N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)-
  • N-[5-[(5-chloropyridin-2-yl)methoxy]-1,3,4- thiadiazol-2-yl]-3-(2- methoxyphenyl)pyridine-4-carboxamide

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
453.91 g/molcalc.
Exact mass
453.0662 Dacalc.
LogP (octanol/water)
4.49calc.
Topological polar surface area
99.12 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.1calc.
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(Nc1nnc(OCc2ccccn2)s1)c1ccncc1-c1ccccc1

O=C(Nc1nnc(OCc2ccccn2)s1)c1ccncc1-c1ccccc1

4 rings, 28 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.

PolQi2 suppliers

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PolQi2 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 PolQi2 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 PolQi2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PolQi2, based on the data on this page

What is PolQi2?

PolQi2 is a chemical substance with the molecular formula C21H16ClN5O3S and a molar mass of 453.91 g/mol. Its CAS registry number is 2565638-16-4. The IUPAC name is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

What is the CAS number of PolQi2?

The CAS registry number of PolQi2 is 2565638-16-4.

What is the molecular formula and weight of PolQi2?

The molecular formula of PolQi2 is C21H16ClN5O3S and its molar mass is 453.91 g/mol.

What is PolQi2 used for?

Known uses and roles of PolQi2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PolQi2 hazardous?

No GHS hazard classification for PolQi2 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 PolQi2?

PolQi2 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 PolQi2?

Post a free request on CompoundList and suppliers of PolQi2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PolQi2?

Suppliers quote PolQi2 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 PolQi2

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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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