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Screening compounds

Apd-668

Also known as Isopropyl 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)piperidine-1-carboxylate, isopropyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate, propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

CAS 832714-46-2Formula C21H24FN5O5SMolar mass 477.52 g/mol
1 supplier listed
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Apd-668 chemical structure, C21H24FN5O5S, CAS 832714-46-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
832714-46-2
Formula
C21H24FN5O5S
Molar mass
477.52 g/mol
HS code
293359
Category
Screening compounds

What is Apd-668?

Plain description, key identifiers and synonyms

Apd-668 is a chemical substance with the molecular formula C21H24FN5O5S and a molar mass of 477.52 g/mol. Its CAS registry number is 832714-46-2. The IUPAC name is propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CAS number
832714-46-2 CAS number cross-checked
Molecular formula
C21H24FN5O5S
UNII
JC77BCH2AP
MDL number
MFCD12032117
InChIKey
XTRUQJBVQBUKSQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
SMILES (canonical and isomeric)
CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F

Synonyms

  • Isopropyl 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)piperidine-1-carboxylate
  • isopropyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate
  • propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
  • isopropyl 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)piperidine-1-carboxylate .
  • Isopropyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate
  • propan-2-yl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate
  • 1-Methylethyl 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)oxy)-1-piperidinecarboxylate
  • 1-Piperidinecarboxylic acid, 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)oxy)-, 1-methylethyl ester
  • 4-((1-(2-Fluoro-4-methylsulfonylphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)oxy)piperidine-1-carboxylic acid isopropyl ester
  • Isopropyl 4-((1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-yl)oxy)-1-piperidinecarboxylate
  • Propan-2-yl 4-(1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo(4,5-E)pyrimidin-4-yl)oxypiperidine-1-carboxylate
  • propan-2-yl 4-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
  • APD 668
  • Isopropyl 4-({1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}oxy)-1-piperidinecarboxylate
  • Isopropyl 4-[[1-[2-Fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
  • APD668?
  • compound 3k
  • JNJ 28630368
  • compound A129
  • 4-[1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester
  • isopropyl 4-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

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
477.52 g/molcalc.
Exact mass
477.1482 Dacalc.
LogP (octanol/water)
2.75calc.
Topological polar surface area
116.5 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
5calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.43calc.
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(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

4 rings, 22 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.

Apd-668 suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    Apd-668Grade, purity and minimum order on request
    Price on request
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Apd-668 price

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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 Apd-668 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 Apd-668 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Apd-668, based on the data on this page

What is Apd-668?

Apd-668 is a chemical substance with the molecular formula C21H24FN5O5S and a molar mass of 477.52 g/mol. Its CAS registry number is 832714-46-2. The IUPAC name is propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

What is the CAS number of Apd-668?

The CAS registry number of Apd-668 is 832714-46-2.

What is the molecular formula and weight of Apd-668?

The molecular formula of Apd-668 is C21H24FN5O5S and its molar mass is 477.52 g/mol.

What is Apd-668 used for?

Known uses and roles of Apd-668 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Apd-668 hazardous?

No GHS hazard classification for Apd-668 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 Apd-668?

Apd-668 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 Apd-668?

CompoundList lists 1 supplier of Apd-668 in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Apd-668?

Suppliers quote Apd-668 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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