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Screening compounds

Wpf87GD84K

Also known as (3S,6S,7S,8aS)-6-(1,3-Benzodioxol-5-yl)tetrahydro-3,7,10-trimethyl-4,9-dioxo-6H-3,8a-(iminomethano)pyrrolo[2,1-c][1,2,4]dithiazine-7-carbonitrile, (3S,6S,7S,8AS)-6-(benzo[d][1,3]dioxol-5-yl)-2,3,7-trimethyl-1,4-dioxohexahydro-1H-3,8a-epidithiopyrrolo[1,2-a]pyrazine-7-carbonitrile, 6H-3,8a-(Iminomethano)pyrrolo[2,1-c][1,2,4]dithiazine-7-carbonitrile, 6-(1,3-benzodioxol-5-yl)tetrahydro-3,7,10-trimethyl-4,9-dioxo-, (3S,6S,7S,8aS)-

CAS 1607798-23-1Formula C18H17N3O4S2Molar mass 403.49 g/mol
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Wpf87GD84K chemical structure, C18H17N3O4S2, CAS 1607798-23-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1607798-23-1
Formula
C18H17N3O4S2
Molar mass
403.49 g/mol
HS code
293499
Category
Screening compounds

What is Wpf87GD84K?

Plain description, key identifiers and synonyms

Wpf87GD84K is a chemical substance with the molecular formula C18H17N3O4S2 and a molar mass of 403.49 g/mol. Its CAS registry number is 1607798-23-1. The IUPAC name is (1S,3S,4S,7S)-4-(1,3-benzodioxol-5-yl)-3,7,11-trimethyl-6,10-dioxo-8,9-dithia-5,11-diazatricyclo[5.2.2.01,5]undecane-3-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3S,4S,7S)-4-(1,3-benzodioxol-5-yl)-3,7,11-trimethyl-6,10-dioxo-8,9-dithia-5,11-diazatricyclo[5.2.2.01,5]undecane-3-carbonitrile
CAS number
1607798-23-1
Molecular formula
C18H17N3O4S2
UNII
WPF87GD84K
InChIKey
SDABUVHLPSIZEG-NBMRYCAZSA-N
InChI
InChI=1S/C18H17N3O4S2/c1-16(8-19)7-18-15(23)20(3)17(2,26-27-18)14(22)21(18)13(16)10-4-5-11-12(6-10)25-9-24-11/h4-6,13H,7,9H2,1-3H3/t13-,16+,17-,18-/m0/s1
Canonical SMILES
CN1C(=O)C23CC(C)(C#N)C(c4ccc5c(c4)OCO5)N2C(=O)C1(C)SS3
Isomeric SMILES
C[C@@]1(C[C@]23C(=O)N([C@](C(=O)N2[C@H]1C4=CC5=C(C=C4)OCO5)(SS3)C)C)C#N

Synonyms

  • (3S,6S,7S,8aS)-6-(1,3-Benzodioxol-5-yl)tetrahydro-3,7,10-trimethyl-4,9-dioxo-6H-3,8a-(iminomethano)pyrrolo[2,1-c][1,2,4]dithiazine-7-carbonitrile
  • (3S,6S,7S,8AS)-6-(benzo[d][1,3]dioxol-5-yl)-2,3,7-trimethyl-1,4-dioxohexahydro-1H-3,8a-epidithiopyrrolo[1,2-a]pyrazine-7-carbonitrile
  • 6H-3,8a-(Iminomethano)pyrrolo[2,1-c][1,2,4]dithiazine-7-carbonitrile, 6-(1,3-benzodioxol-5-yl)tetrahydro-3,7,10-trimethyl-4,9-dioxo-, (3S,6S,7S,8aS)-

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
403.49 g/molcalc.
Exact mass
403.066 Dacalc.
LogP (octanol/water)
2.5calc.
Topological polar surface area
82.87 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
1calc.
Heavy atoms
27calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1C2NC(=O)C3(CCC(c4ccc5c(c4)OCO5)N13)SS2

O=C1C2NC(=O)C3(CCC(c4ccc5c(c4)OCO5)N13)SS2

6 rings, 22 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.

Wpf87GD84K suppliers

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Wpf87GD84K 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 Wpf87GD84K is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Wpf87GD84K is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Wpf87GD84K, based on the data on this page

What is Wpf87GD84K?

Wpf87GD84K is a chemical substance with the molecular formula C18H17N3O4S2 and a molar mass of 403.49 g/mol. Its CAS registry number is 1607798-23-1. The IUPAC name is (1S,3S,4S,7S)-4-(1,3-benzodioxol-5-yl)-3,7,11-trimethyl-6,10-dioxo-8,9-dithia-5,11-diazatricyclo[5.2.2.01,5]undecane-3-carbonitrile.

What is the CAS number of Wpf87GD84K?

The CAS registry number of Wpf87GD84K is 1607798-23-1.

What is the molecular formula and weight of Wpf87GD84K?

The molecular formula of Wpf87GD84K is C18H17N3O4S2 and its molar mass is 403.49 g/mol.

What is Wpf87GD84K used for?

Known uses and roles of Wpf87GD84K include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Wpf87GD84K hazardous?

No GHS hazard classification for Wpf87GD84K 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 Wpf87GD84K?

Wpf87GD84K is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Wpf87GD84K?

Post a free request on CompoundList and suppliers of Wpf87GD84K will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Wpf87GD84K?

Suppliers quote Wpf87GD84K on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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