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Screening compounds

Mdl 19152

Also known as Mdl 19,152, 2-Propenamide, N-(1-(hydroxymethyl)-2-((phenylmethyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (1R-(E))-, (E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

CAS 61786-72-9Formula C18H21N3O5SMolar mass 391.45 g/mol
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Mdl 19152 chemical structure, C18H21N3O5S, CAS 61786-72-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61786-72-9
Formula
C18H21N3O5S
Molar mass
391.45 g/mol
HS code
293359
Category
Screening compounds

What is Mdl 19152?

Plain description, key identifiers and synonyms

Mdl 19152 is a chemical substance with the molecular formula C18H21N3O5S and a molar mass of 391.45 g/mol. Its CAS registry number is 61786-72-9. The IUPAC name is (E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CAS number
61786-72-9
Molecular formula
C18H21N3O5S
InChIKey
YLMGINPOMBXUKT-BQYQJAHWSA-N
InChI
InChI=1S/C18H21N3O5S/c1-12-15(17(24)21-18(25)19-12)7-8-16(23)20-14(9-22)11-27(26)10-13-5-3-2-4-6-13/h2-8,14,22H,9-11H2,1H3,(H,20,23)(H2,19,21,24,25)/b8-7+
Canonical SMILES
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)NC(CO)CS(=O)Cc1ccccc1
Isomeric SMILES
CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CC2=CC=CC=C2

Synonyms

  • Mdl 19,152
  • 2-Propenamide, N-(1-(hydroxymethyl)-2-((phenylmethyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (1R-(E))-
  • (E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
  • (E)-N-[1-(benzylsulfinylmethyl)-2-hydroxy-ethyl]-3-(2,4-dihydroxy-6-methyl-pyrimidin-5-yl)prop-2-enamide
  • N-(2-(Benzylsulfinyl)-1-(hydroxymethyl)ethyl)-3-(2,4-dihydroxy-6-methyl-5-pyrimidinyl)acrylamide

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
391.45 g/molcalc.
Exact mass
391.1202 Dacalc.
LogP (octanol/water)
-0.19calc.
Topological polar surface area
132.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C(C=Cc1c[nH]c(=O)[nH]c1=O)NCCS(=O)Cc1ccccc1

O=C(C=Cc1c[nH]c(=O)[nH]c1=O)NCCS(=O)Cc1ccccc1

2 rings, 24 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.

Mdl 19152 suppliers

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Mdl 19152 price

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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 Mdl 19152 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 Mdl 19152 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mdl 19152, based on the data on this page

What is Mdl 19152?

Mdl 19152 is a chemical substance with the molecular formula C18H21N3O5S and a molar mass of 391.45 g/mol. Its CAS registry number is 61786-72-9. The IUPAC name is (E)-N-(1-benzylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.

What is the CAS number of Mdl 19152?

The CAS registry number of Mdl 19152 is 61786-72-9.

What is the molecular formula and weight of Mdl 19152?

The molecular formula of Mdl 19152 is C18H21N3O5S and its molar mass is 391.45 g/mol.

What is Mdl 19152 used for?

Known uses and roles of Mdl 19152 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mdl 19152 hazardous?

No GHS hazard classification for Mdl 19152 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 Mdl 19152?

Mdl 19152 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 Mdl 19152?

Post a free request on CompoundList and suppliers of Mdl 19152 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mdl 19152?

Suppliers quote Mdl 19152 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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