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Screening compounds

Ast-487

Also known as AST 487, Urea, N-(4-((4-ethyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-N'-(4-((6-(methylamino)-4-pyrimidinyl)oxy)phenyl)-, 3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea

CAS 630124-46-8Formula C26H30F3N7O2Molar mass 529.57 g/mol
1 supplier listed
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Ast-487 chemical structure, C26H30F3N7O2, CAS 630124-46-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
630124-46-8
Formula
C26H30F3N7O2
Molar mass
529.57 g/mol
HS code
293359
Category
Screening compounds

What is Ast-487?

Plain description, key identifiers and synonyms

Ast-487 is a chemical substance with the molecular formula C26H30F3N7O2 and a molar mass of 529.57 g/mol. Its CAS registry number is 630124-46-8. The IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
CAS number
630124-46-8 CAS number cross-checkedOther or deprecated CAS: 1069112-48-6
Molecular formula
C26H30F3N7O2
UNII
W34UO2M4T6
MDL number
MFCD11983171
InChIKey
ODPGGGTTYSGTGO-UHFFFAOYSA-N
InChI
InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
SMILES (canonical and isomeric)
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)F

Synonyms

  • AST 487
  • Urea, N-(4-((4-ethyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-N'-(4-((6-(methylamino)-4-pyrimidinyl)oxy)phenyl)-
  • 3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea
  • 3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea
  • 1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea
  • N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea
  • NVP-AST 487
  • 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
  • AST-487 (NVP-AST487)
  • Kinome_3855
  • NVP-AST487?
  • 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea
  • 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
  • N-{4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-N'-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea

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
529.57 g/molcalc.
Exact mass
529.2413 Dacalc.
LogP (octanol/water)
5.11calc.
Topological polar surface area
94.65 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
8calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C(Nc1ccc(CN2CCNCC2)cc1)Nc1ccc(Oc2ccncn2)cc1

O=C(Nc1ccc(CN2CCNCC2)cc1)Nc1ccc(Oc2ccncn2)cc1

4 rings, 30 atoms.

3 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.

Ast-487 suppliers

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

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  • Amfluoro
    China, HangzhouUnclaimed profile
    Ast-487Grade, purity and minimum order on request
    Price on request
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Ast-487 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 Ast-487 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 Ast-487 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ast-487, based on the data on this page

What is Ast-487?

Ast-487 is a chemical substance with the molecular formula C26H30F3N7O2 and a molar mass of 529.57 g/mol. Its CAS registry number is 630124-46-8. The IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea.

What is the CAS number of Ast-487?

The CAS registry number of Ast-487 is 630124-46-8. Other or deprecated CAS numbers: 1069112-48-6.

What is the molecular formula and weight of Ast-487?

The molecular formula of Ast-487 is C26H30F3N7O2 and its molar mass is 529.57 g/mol.

What is Ast-487 used for?

Known uses and roles of Ast-487 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ast-487 hazardous?

No GHS hazard classification for Ast-487 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 Ast-487?

Ast-487 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 Ast-487?

CompoundList lists 1 supplier of Ast-487 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ast-487?

Suppliers quote Ast-487 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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