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Screening compounds

Irafamdastat

Also known as Irafamdastat (USAN), 5-carbamoylpyridin-3-yl (R)-2-methyl-4-(3-(trifluoromethoxy)benzyl)piperazine-1-carboxylate, (5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate

CAS 2244136-58-9Formula C20H21F3N4O4Molar mass 438.41 g/mol
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Irafamdastat chemical structure, C20H21F3N4O4, CAS 2244136-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2244136-58-9
Formula
C20H21F3N4O4
Molar mass
438.41 g/mol
HS code
293359
Category
Screening compounds

What is Irafamdastat?

Plain description, key identifiers and synonyms

Irafamdastat is a chemical substance with the molecular formula C20H21F3N4O4 and a molar mass of 438.41 g/mol. Its CAS registry number is 2244136-58-9. The IUPAC name is (5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CAS number
2244136-58-9
Molecular formula
C20H21F3N4O4
UNII
X3Q33L6UL2
InChIKey
XXDVCULQMDDOAX-CYBMUJFWSA-N
InChI
InChI=1S/C20H21F3N4O4/c1-13-11-26(12-14-3-2-4-16(7-14)31-20(21,22)23)5-6-27(13)19(29)30-17-8-15(18(24)28)9-25-10-17/h2-4,7-10,13H,5-6,11-12H2,1H3,(H2,24,28)/t13-/m1/s1
SMILES
C[C@@H]1CN(CCN1C(=O)OC2=CN=CC(=C2)C(=O)N)CC3=CC(=CC=C3)OC(F)(F)F

Synonyms

  • Irafamdastat (USAN)
  • 5-carbamoylpyridin-3-yl (R)-2-methyl-4-(3-(trifluoromethoxy)benzyl)piperazine-1-carboxylate
  • (5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
  • US11129827, Example 74
  • Example 74
  • (5-carbamoylpyridin-3-yl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
  • (R)-5-Carbamoylpyridin- 3-yl 2-methyl-4-(3- (trifluoromethoxy) benzyl)piperazine-1- carboxylate
  • 1-Piperazinecarboxylic acid, 2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-, 5-(aminocarbonyl)-3-pyridinyl ester, (2R)-
  • 5-(Aminocarbonyl)-3-pyridinyl (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-1-piperazinecarboxylate

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
438.41 g/molcalc.
Exact mass
438.1515 Dacalc.
LogP (octanol/water)
2.78calc.
Topological polar surface area
97.99 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
1calc.
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(Oc1cccnc1)N1CCN(Cc2ccccc2)CC1

O=C(Oc1cccnc1)N1CCN(Cc2ccccc2)CC1

3 rings, 22 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.

Irafamdastat suppliers

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Irafamdastat 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 Irafamdastat is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Irafamdastat?

Irafamdastat is a chemical substance with the molecular formula C20H21F3N4O4 and a molar mass of 438.41 g/mol. Its CAS registry number is 2244136-58-9. The IUPAC name is (5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate.

What is the CAS number of Irafamdastat?

The CAS registry number of Irafamdastat is 2244136-58-9.

What is the molecular formula and weight of Irafamdastat?

The molecular formula of Irafamdastat is C20H21F3N4O4 and its molar mass is 438.41 g/mol.

What is Irafamdastat used for?

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

Is Irafamdastat hazardous?

No GHS hazard classification for Irafamdastat 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 Irafamdastat?

Irafamdastat is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Irafamdastat?

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

What is the price of Irafamdastat?

Suppliers quote Irafamdastat 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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