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Screening compounds

Dpi-221

Also known as DPI 221, Benzamide, N,N-diethyl-4-((S)-((2S,5R)-4-((3-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)phenylmethyl)-, N,N-Diethyl-4-((S)-((2S,5R)-4-((3-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)phenylmethyl)benzamide

CAS 519058-15-2Formula C31H38FN3OMolar mass 487.66 g/mol
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Dpi-221 chemical structure, C31H38FN3O, CAS 519058-15-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
519058-15-2
Formula
C31H38FN3O
Molar mass
487.66 g/mol
HS code
293359
Category
Screening compounds

What is Dpi-221?

Plain description, key identifiers and synonyms

Dpi-221 is a chemical substance with the molecular formula C31H38FN3O and a molar mass of 487.66 g/mol. Its CAS registry number is 519058-15-2. The IUPAC name is N,N-diethyl-4-[(S)-[(2S,5R)-4-[(3-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-phenylmethyl]benzamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N-diethyl-4-[(S)-[(2S,5R)-4-[(3-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-phenylmethyl]benzamide
CAS number
519058-15-2
Molecular formula
C31H38FN3O
UNII
X9LJN69TFK
InChIKey
KEXJLZMJVOTFOY-QEGDFHJFSA-N
InChI
InChI=1S/C31H38FN3O/c1-5-33(6-2)31(36)28-17-15-27(16-18-28)30(26-12-8-7-9-13-26)35-21-23(3)34(20-24(35)4)22-25-11-10-14-29(32)19-25/h7-19,23-24,30H,5-6,20-22H2,1-4H3/t23-,24+,30+/m1/s1
Canonical SMILES
CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CC(C)N(Cc3cccc(F)c3)CC2C)cc1
Isomeric SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)N3C[C@H](N(C[C@@H]3C)CC4=CC(=CC=C4)F)C

Synonyms

  • DPI 221
  • Benzamide, N,N-diethyl-4-((S)-((2S,5R)-4-((3-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)phenylmethyl)-
  • N,N-Diethyl-4-((S)-((2S,5R)-4-((3-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)phenylmethyl)benzamide
  • 4-((alphaS)-alpha-((2S,5R)-2,5-Dimethyl-4-(3-fluorobenzyl)-1-piperazinyl)benzyl)-N,N-diethylbenzamide
  • 4-((.Alpha.s)-alpha-((2S,5R)-2,5-dimethyl-4-(3-fluorobenzyl)-1-piperazinyl)benzyl)-N,N-diethylbenzamide
  • 4-((alpha-s)-alpha-((2s,5r)-2,5-dimethyl-4-(3-fluorobenzyl)-1-piperazinyl)benzyl)-n,n-diethylbenzamide
  • N,N-Diethyl-4-[(S)-[(2S,5R)-4-[(3-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-phenylmethyl]benzamide

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
487.66 g/molcalc.
Exact mass
487.2999 Dacalc.
LogP (octanol/water)
5.99calc.
Topological polar surface area
26.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

4 rings, 26 atoms, the 1-Benzhydryl-4-benzylpiperazine ring system.

65 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.

Dpi-221 suppliers

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Dpi-221 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 Dpi-221 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 Dpi-221 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dpi-221, based on the data on this page

What is Dpi-221?

Dpi-221 is a chemical substance with the molecular formula C31H38FN3O and a molar mass of 487.66 g/mol. Its CAS registry number is 519058-15-2. The IUPAC name is N,N-diethyl-4-[(S)-[(2S,5R)-4-[(3-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-phenylmethyl]benzamide.

What is the CAS number of Dpi-221?

The CAS registry number of Dpi-221 is 519058-15-2.

What is the molecular formula and weight of Dpi-221?

The molecular formula of Dpi-221 is C31H38FN3O and its molar mass is 487.66 g/mol.

What is Dpi-221 used for?

Known uses and roles of Dpi-221 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dpi-221 hazardous?

No GHS hazard classification for Dpi-221 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 Dpi-221?

Dpi-221 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 Dpi-221?

Post a free request on CompoundList and suppliers of Dpi-221 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dpi-221?

Suppliers quote Dpi-221 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

Practical guides that help when you source, ship or handle Dpi-221

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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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