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Screening compounds

IC 87114

Also known as 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one, 4(3H)-Quinazolinone, 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-(2-methylphenyl)-, 4(3H)-Quinazolinone, 2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-

CAS 371242-69-2Formula C22H19N7OMolar mass 397.44 g/mol
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IC 87114 chemical structure, C22H19N7O, CAS 371242-69-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
371242-69-2
Formula
C22H19N7O
Molar mass
397.44 g/mol
HS code
293359
Category
Screening compounds

What is IC 87114?

Plain description, key identifiers and synonyms

IC-87114 is a member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a member of 6-aminopurines, a member of quinazolines and a biaryl.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CAS number
371242-69-2 CAS number cross-checked
Molecular formula
C22H19N7O
UNII
9HC746B1KF
MDL number
MFCD09970845
InChIKey
GNWHRHGTIBRNSM-UHFFFAOYSA-N
InChI
InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
SMILES (canonical and isomeric)
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N

Synonyms

  • 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
  • 4(3H)-Quinazolinone, 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-(2-methylphenyl)-
  • 4(3H)-Quinazolinone, 2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-
  • 2-((6-aminopurin-9-yl)methyl)-5-methyl-3-(2-methylphenyl)quinazolin-4-one
  • 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
  • 2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone
  • 2-[(6-Amino-9h-Purin-9-Yl)methyl]-5-Methyl-3-(2-Methylphenyl)quinazolin-4(3h)-One
  • 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one
  • BiomolKI2_000002
  • 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one
  • IC87114,PIK-293
  • Sdccgsbi-0654363.p001
  • 2-(6-Aminopurin-9-ylmethyl)-5-methyl-3-o-tolyl-3H-quinazolin-4-one

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
397.44 g/molcalc.
Exact mass
397.1651 Dacalc.
LogP (octanol/water)
2.77calc.
Topological polar surface area
104.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.14calc.
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, O=c1c2ccccc2nc(Cn2cnc3cncnc32)n1-c1ccccc1

O=c1c2ccccc2nc(Cn2cnc3cncnc32)n1-c1ccccc1

5 rings, 27 atoms.

No other chemical in our database has 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.

IC 87114 suppliers

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

All 5 suppliers
5 of 5 offers

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Where suppliers are based

5 suppliers in 3 countries

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IC 87114 price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • enzyme inhibitor
  • lipid kinase inhibitor

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 IC 87114 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 IC 87114 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about IC 87114, based on the data on this page

What is IC 87114?

IC-87114 is a member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor.

What is the CAS number of IC 87114?

The CAS registry number of IC 87114 is 371242-69-2.

What is the molecular formula and weight of IC 87114?

The molecular formula of IC 87114 is C22H19N7O and its molar mass is 397.44 g/mol.

What is IC 87114 used for?

Known uses and roles of IC 87114 include building blocks in research and laboratory, screening compounds in research and laboratory, enzyme inhibitor and lipid kinase inhibitor.

Is IC 87114 hazardous?

No GHS hazard classification for IC 87114 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 IC 87114?

IC 87114 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 IC 87114?

CompoundList lists 5 suppliers of IC 87114 in China, United States and Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of IC 87114?

Suppliers quote IC 87114 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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