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Screening compounds

Nutlin-1

Also known as Nutlin 1, cis-1-[4-[[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-1-yl]ethanone, 1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone

CAS 548472-58-8Formula C32H34Cl2N4O4Molar mass 609.55 g/mol
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Nutlin-1 chemical structure, C32H34Cl2N4O4, CAS 548472-58-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548472-58-8
Formula
C32H34Cl2N4O4
Molar mass
609.55 g/mol
HS code
293359
Category
Screening compounds

What is Nutlin-1?

Plain description, key identifiers and synonyms

Nutlin-1 is a chemical substance with the molecular formula C32H34Cl2N4O4 and a molar mass of 609.55 g/mol. Its CAS registry number is 548472-58-8. The IUPAC name is 1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CAS number
548472-58-8
Molecular formula
C32H34Cl2N4O4
InChIKey
IYDMGGPKSVWQRT-IHLOFXLRSA-N
InChI
InChI=1S/C32H34Cl2N4O4/c1-20(2)42-28-19-26(41-4)13-14-27(28)31-35-29(22-5-9-24(33)10-6-22)30(23-7-11-25(34)12-8-23)38(31)32(40)37-17-15-36(16-18-37)21(3)39/h5-14,19-20,29-30H,15-18H2,1-4H3/t29-,30+/m1/s1
Canonical SMILES
COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(C(C)=O)CC2)c(OC(C)C)c1
Isomeric SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC3)C(=O)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Synonyms

  • Nutlin 1
  • cis-1-[4-[[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-1-yl]ethanone
  • 1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone

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
609.55 g/molcalc.
Exact mass
608.1957 Dacalc.
LogP (octanol/water)
6.62calc.
Topological polar surface area
74.68 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
42calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
2calc.
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(N1CCNCC1)N1C(c2ccccc2)=NC(c2ccccc2)C1c1ccccc1

O=C(N1CCNCC1)N1C(c2ccccc2)=NC(c2ccccc2)C1c1ccccc1

5 rings, 31 atoms.

15 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.

Nutlin-1 suppliers

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Nutlin-1 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 Nutlin-1 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 Nutlin-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nutlin-1, based on the data on this page

What is Nutlin-1?

Nutlin-1 is a chemical substance with the molecular formula C32H34Cl2N4O4 and a molar mass of 609.55 g/mol. Its CAS registry number is 548472-58-8. The IUPAC name is 1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone.

What is the CAS number of Nutlin-1?

The CAS registry number of Nutlin-1 is 548472-58-8.

What is the molecular formula and weight of Nutlin-1?

The molecular formula of Nutlin-1 is C32H34Cl2N4O4 and its molar mass is 609.55 g/mol.

What is Nutlin-1 used for?

Known uses and roles of Nutlin-1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nutlin-1 hazardous?

No GHS hazard classification for Nutlin-1 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 Nutlin-1?

Nutlin-1 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 Nutlin-1?

Post a free request on CompoundList and suppliers of Nutlin-1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nutlin-1?

Suppliers quote Nutlin-1 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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