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Screening compounds

CP-31398

Also known as CP 31398, CP-31,398, 1,3-propanediamine, N3-(2-((E)-2-(4-methoxyphenyl)ethenyl)-4-quinazolinyl)-N1,N1-dimethyl-

CAS 259199-65-0Formula C22H26N4OMolar mass 362.48 g/molEC 683-708-8
GHS signal word: Warning. Pictograms: Harmful or irritant
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CP-31398 chemical structure, C22H26N4O, CAS 259199-65-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
259199-65-0
Formula
C22H26N4O
Molar mass
362.48 g/mol
EC number
683-708-8
HS code
293359
Category
Screening compounds

What is CP-31398?

Plain description, key identifiers and synonyms

CP-31398 is a chemical substance with the molecular formula C22H26N4O and a molar mass of 362.48 g/mol. Its CAS registry number is 259199-65-0. The IUPAC name is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CAS number
259199-65-0Other or deprecated CAS: 1654733-02-4
EC number
683-708-8
Molecular formula
C22H26N4O
UNII
IN3WH41H3A
InChIKey
NIHSNFSFDGHHRG-SDNWHVSQSA-N
InChI
InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+
Canonical SMILES
COc1ccc(C=Cc2nc(NCCCN(C)C)c3ccccc3n2)cc1
Isomeric SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC

Synonyms

  • CP 31398
  • CP-31,398
  • 1,3-propanediamine, N3-(2-((E)-2-(4-methoxyphenyl)ethenyl)-4-quinazolinyl)-N1,N1-dimethyl-
  • (E)-N1-(2-(4-Methoxystyryl)quinazolin-4-yl)-N3,N3-dimethylpropane-1,3-diamine
  • N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
  • N1-(2-(4-Methoxystyryl)quinazolin-4-yl)-N3,N3-dimethylpropane-1,3-diamine
  • 1,3-Propanediamine, N3-[2-[2-(4-methoxyphenyl)ethenyl]-4-quinazolinyl]-N1,N1-dimethyl-
  • 1,3-Propanediamine, n3-(2-(2-(4-methoxyphenyl)ethenyl)-4-quinazolinyl)-n1,n1-dimethyl-
  • US9951029, 12
  • N''-{2-[(E)-2-(4- methoxyphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylpropane-1,3- diamine

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
362.48 g/molcalc.
Exact mass
362.2107 Dacalc.
LogP (octanol/water)
4.17calc.
Topological polar surface area
50.28 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
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, C(=Cc1ncc2ccccc2n1)c1ccccc1

C(=Cc1ncc2ccccc2n1)c1ccccc1

3 rings, 18 atoms, the 2-(2-Phenylethenyl)quinazoline ring system.

42 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

CP-31398 suppliers

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CP-31398 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 CP-31398 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 CP-31398 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about CP-31398, based on the data on this page

What is CP-31398?

CP-31398 is a chemical substance with the molecular formula C22H26N4O and a molar mass of 362.48 g/mol. Its CAS registry number is 259199-65-0. The IUPAC name is N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the CAS number of CP-31398?

The CAS registry number of CP-31398 is 259199-65-0. Other or deprecated CAS numbers: 1654733-02-4.

What is the molecular formula and weight of CP-31398?

The molecular formula of CP-31398 is C22H26N4O and its molar mass is 362.48 g/mol.

What is CP-31398 used for?

Known uses and roles of CP-31398 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is CP-31398 hazardous?

CP-31398 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of CP-31398?

CP-31398 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 CP-31398?

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What is the price of CP-31398?

Suppliers quote CP-31398 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 CP-31398

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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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