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Screening compounds

Orb1943069

Also known as 5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

CAS 2225902-98-5Formula C28H27F3N6O2SMolar mass 568.63 g/mol
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Orb1943069 chemical structure, C28H27F3N6O2S, CAS 2225902-98-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2225902-98-5
Formula
C28H27F3N6O2S
Molar mass
568.63 g/mol
HS code
293499
Category
Screening compounds

What is Orb1943069?

Plain description, key identifiers and synonyms

Orb1943069 is a chemical substance with the molecular formula C28H27F3N6O2S and a molar mass of 568.63 g/mol. Its CAS registry number is 2225902-98-5. The IUPAC name is 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CAS number
2225902-98-5Other or deprecated CAS: 2225902-88-3
Molecular formula
C28H27F3N6O2S
InChIKey
BQODGOMHYSMCGK-UHFFFAOYSA-N
InChI
InChI=1S/C28H27F3N6O2S/c1-17(20-6-4-5-7-21(20)28(29,30)31)39-23-13-24(40-26(23)27(32)38)22-15-33-25-12-18(8-9-37(22)25)19-14-34-36(16-19)11-10-35(2)3/h4-9,12-17H,10-11H2,1-3H3,(H2,32,38)
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)C3=CN=C4N3C=CC(=C4)C5=CN(N=C5)CCN(C)C)C(=O)N

Synonyms

  • 5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-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
568.63 g/molcalc.
Exact mass
568.1868 Dacalc.
LogP (octanol/water)
5.75calc.
Topological polar surface area
90.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 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(COc2csc(-c3cnc4cc(-c5cn[nH]c5)ccn34)c2)cc1

c1ccc(COc2csc(-c3cnc4cc(-c5cn[nH]c5)ccn34)c2)cc1

5 rings, 27 atoms.

2 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.

Orb1943069 suppliers

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Where suppliers are based

1 supplier in 0 countries

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Orb1943069 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 Orb1943069 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 Orb1943069 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1943069, based on the data on this page

What is Orb1943069?

Orb1943069 is a chemical substance with the molecular formula C28H27F3N6O2S and a molar mass of 568.63 g/mol. Its CAS registry number is 2225902-98-5. The IUPAC name is 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

What is the CAS number of Orb1943069?

The CAS registry number of Orb1943069 is 2225902-98-5. Other or deprecated CAS numbers: 2225902-88-3.

What is the molecular formula and weight of Orb1943069?

The molecular formula of Orb1943069 is C28H27F3N6O2S and its molar mass is 568.63 g/mol.

What is Orb1943069 used for?

Known uses and roles of Orb1943069 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1943069 hazardous?

No GHS hazard classification for Orb1943069 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 Orb1943069?

Orb1943069 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 Orb1943069?

CompoundList lists 1 supplier of Orb1943069. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1943069?

Suppliers quote Orb1943069 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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