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Screening compounds

Methasquin

Also known as Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L-, L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, N-(4-((2,4-diamino-5-methyl-6-quinazolinyl)methylamino)benzoyl)-L-aspartic acid

CAS 18921-70-5Formula C21H22N6O5Molar mass 438.44 g/mol
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Methasquin chemical structure, C21H22N6O5, CAS 18921-70-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18921-70-5
Formula
C21H22N6O5
Molar mass
438.44 g/mol
HS code
293359
Category
Screening compounds

What is Methasquin?

Plain description, key identifiers and synonyms

Methasquin is a chemical substance with the molecular formula C21H22N6O5 and a molar mass of 438.44 g/mol. Its CAS registry number is 18921-70-5. The IUPAC name is (2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
CAS number
18921-70-5
Molecular formula
C21H22N6O5
UNII
UP77R4GQ20
InChIKey
NTKNUVXCGJPJQP-HNNXBMFYSA-N
InChI
InChI=1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t15-/m0/s1
Canonical SMILES
Cc1c(CNc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12
Isomeric SMILES
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O

Synonyms

  • Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-, L-
  • L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-
  • N-(4-((2,4-diamino-5-methyl-6-quinazolinyl)methylamino)benzoyl)-L-aspartic acid
  • (2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
  • SK 29836
  • Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-, L-
  • L-Aspartic acid, N-(4-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino) benzoyl)-,
  • N-(4-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-l-aspartic acid
  • N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid

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
438.44 g/molcalc.
Exact mass
438.1652 Dacalc.
LogP (octanol/water)
1.37calc.
Topological polar surface area
193.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
1calc.
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(NCc2ccc3ncncc3c2)cc1

c1ccc(NCc2ccc3ncncc3c2)cc1

3 rings, 18 atoms.

47 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.

Methasquin suppliers

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

Frequently asked questions

Quick answers about Methasquin, based on the data on this page

What is Methasquin?

Methasquin is a chemical substance with the molecular formula C21H22N6O5 and a molar mass of 438.44 g/mol. Its CAS registry number is 18921-70-5. The IUPAC name is (2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid.

What is the CAS number of Methasquin?

The CAS registry number of Methasquin is 18921-70-5.

What is the molecular formula and weight of Methasquin?

The molecular formula of Methasquin is C21H22N6O5 and its molar mass is 438.44 g/mol.

What is Methasquin used for?

Known uses and roles of Methasquin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methasquin hazardous?

No GHS hazard classification for Methasquin 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 Methasquin?

Methasquin 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 Methasquin?

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What is the price of Methasquin?

Suppliers quote Methasquin 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 Methasquin

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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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