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Screening compounds

DR-4004

Also known as 2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one, Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-, 2a-(4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl)-1,3,4,5-tetrahydrobenzo(cd)indol-2-one

CAS 201608-41-5Formula C26H30N2OMolar mass 386.54 g/mol
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DR-4004 chemical structure, C26H30N2O, CAS 201608-41-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
201608-41-5
Formula
C26H30N2O
Molar mass
386.54 g/mol
HS code
293339
Category
Screening compounds

What is DR-4004?

Plain description, key identifiers and synonyms

DR-4004 is a chemical substance with the molecular formula C26H30N2O and a molar mass of 386.54 g/mol. Its CAS registry number is 201608-41-5. The IUPAC name is 2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CAS number
201608-41-5
Molecular formula
C26H30N2O
UNII
27CN8PNO4K
InChIKey
JBQOYPLKTTXLSQ-UHFFFAOYSA-N
InChI
InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
SMILES (canonical and isomeric)
C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC(=CC4)C5=CC=CC=C5

Synonyms

  • 2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
  • Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-
  • 2a-(4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl)-1,3,4,5-tetrahydrobenzo(cd)indol-2-one
  • DR-4004, (A+-)-
  • DR-4004, (+/-)-
  • compound 7
  • 2a-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
  • 2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-2a,3,4,5-tetrahydrobenzo[cd]indol-2(1H)-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
386.54 g/molcalc.
Exact mass
386.2358 Dacalc.
LogP (octanol/water)
5.17calc.
Topological polar surface area
32.34 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
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, O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3

O=C1Nc2cccc3c2C1(CCCCN1CC=C(c2ccccc2)CC1)CCC3

5 rings, 29 atoms. This chemical is the scaffold itself.

2 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.

DR-4004 suppliers

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DR-4004 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 DR-4004 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for DR-4004 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about DR-4004, based on the data on this page

What is DR-4004?

DR-4004 is a chemical substance with the molecular formula C26H30N2O and a molar mass of 386.54 g/mol. Its CAS registry number is 201608-41-5. The IUPAC name is 2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.

What is the CAS number of DR-4004?

The CAS registry number of DR-4004 is 201608-41-5.

What is the molecular formula and weight of DR-4004?

The molecular formula of DR-4004 is C26H30N2O and its molar mass is 386.54 g/mol.

What is DR-4004 used for?

Known uses and roles of DR-4004 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is DR-4004 hazardous?

No GHS hazard classification for DR-4004 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 DR-4004?

DR-4004 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DR-4004?

Post a free request on CompoundList and suppliers of DR-4004 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of DR-4004?

Suppliers quote DR-4004 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 DR-4004

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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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