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Screening compounds

Etb067

Also known as N-[2-[[(E)-3-(4-Bromophenyl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide, Isoquinoline-5-sulfonic acid (2-((E)-3-(4-bromo-phenyl)-2-methylallylamino)-ethyl)-amide

CAS 1000995-79-8Formula C21H22BrN3O2SMolar mass 460.40 g/mol
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Etb067 chemical structure, C21H22BrN3O2S, CAS 1000995-79-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1000995-79-8
Formula
C21H22BrN3O2S
Molar mass
460.40 g/mol
HS code
293590
Category
Screening compounds

What is Etb067?

Plain description, key identifiers and synonyms

Etb067 is a chemical substance with the molecular formula C21H22BrN3O2S and a molar mass of 460.40 g/mol. Its CAS registry number is 1000995-79-8. The IUPAC name is N-[2-[[(E)-3-(4-bromophenyl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[2-[[(E)-3-(4-bromophenyl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
CAS number
1000995-79-8
Molecular formula
C21H22BrN3O2S
InChIKey
NRPXZULHAHEPLF-DTQAZKPQSA-N
InChI
InChI=1S/C21H22BrN3O2S/c1-16(13-17-5-7-19(22)8-6-17)14-24-11-12-25-28(26,27)21-4-2-3-18-15-23-10-9-20(18)21/h2-10,13,15,24-25H,11-12,14H2,1H3/b16-13+
Canonical SMILES
CC(=Cc1ccc(Br)cc1)CNCCNS(=O)(=O)c1cccc2cnccc12
Isomeric SMILES
C/C(=C\C1=CC=C(C=C1)Br)/CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Synonyms

  • N-[2-[[(E)-3-(4-Bromophenyl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
  • Isoquinoline-5-sulfonic acid (2-((E)-3-(4-bromo-phenyl)-2-methylallylamino)-ethyl)-amide

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
460.40 g/molcalc.
Exact mass
459.0616 Dacalc.
LogP (octanol/water)
3.97calc.
Topological polar surface area
71.09 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
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=S(=O)(NCCNCC=Cc1ccccc1)c1cccc2cnccc12

O=S(=O)(NCCNCC=Cc1ccccc1)c1cccc2cnccc12

3 rings, 26 atoms, the 5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propenyl)amino]ethyl]- ring system.

10 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.

Etb067 suppliers

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Etb067 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 Etb067 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Etb067 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Etb067, based on the data on this page

What is Etb067?

Etb067 is a chemical substance with the molecular formula C21H22BrN3O2S and a molar mass of 460.40 g/mol. Its CAS registry number is 1000995-79-8. The IUPAC name is N-[2-[[(E)-3-(4-bromophenyl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide.

What is the CAS number of Etb067?

The CAS registry number of Etb067 is 1000995-79-8.

What is the molecular formula and weight of Etb067?

The molecular formula of Etb067 is C21H22BrN3O2S and its molar mass is 460.40 g/mol.

What is Etb067 used for?

Known uses and roles of Etb067 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Etb067 hazardous?

No GHS hazard classification for Etb067 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 Etb067?

Etb067 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Etb067?

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What is the price of Etb067?

Suppliers quote Etb067 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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