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Screening compounds

Indocate

Also known as Indocato, Indocatum, Indocarb

CAS 31386-25-1Formula C22H26N2O2Molar mass 350.46 g/mol
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Indocate chemical structure, C22H26N2O2, CAS 31386-25-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
31386-25-1
Formula
C22H26N2O2
Molar mass
350.46 g/mol
HS code
293399
Category
Screening compounds

What is Indocate?

Plain description, key identifiers and synonyms

Indocate is a chemical substance with the molecular formula C22H26N2O2 and a molar mass of 350.46 g/mol. Its CAS registry number is 31386-25-1. The IUPAC name is 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
CAS number
31386-25-1 CAS number cross-checked
Molecular formula
C22H26N2O2
UNII
78D9U89TBG
InChIKey
YKWQHMLRAPIWDP-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N2O2/c1-16-17(2)24(15-18-8-6-5-7-9-18)21-11-10-19(14-20(16)21)22(25)26-13-12-23(3)4/h5-11,14H,12-13,15H2,1-4H3
SMILES (canonical and isomeric)
CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C

Synonyms

  • Indocato
  • Indocatum
  • Indocarb
  • 2-(Dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
  • 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethyl-1H-indole-5-carboxylate
  • 1H-Indole-5-carboxylic acid, 2,3-dimethyl-1-(phenylmethyl)-, 2-(dimethylamino)ethyl ester
  • 2-(dimethylamino)ethyl 2,3-dimethyl-1-benzylindole-5-carboxylate
  • 1-benzyl-2,3-dimethyl-indole-5-carboxylic acid 2-(dimethylamino)ethyl ester, succinic acid
  • butanedioic acid, 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
  • butanedioic acid, 2-(dimethylamino)ethyl 2,3-dimethyl-1-(phenylmethyl)indole-5-carboxylate
  • butanedioic acid, 2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxylic acid 2-(dimethylamino)ethyl ester

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
350.46 g/molcalc.
Exact mass
350.1994 Dacalc.
LogP (octanol/water)
4.02calc.
Topological polar surface area
34.47 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
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, c1ccc(Cn2ccc3ccccc32)cc1

c1ccc(Cn2ccc3ccccc32)cc1

3 rings, 16 atoms, the 1-Benzylindole ring system.

852 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.

Indocate suppliers

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Indocate 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 Indocate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Indocate?

Indocate is a chemical substance with the molecular formula C22H26N2O2 and a molar mass of 350.46 g/mol. Its CAS registry number is 31386-25-1. The IUPAC name is 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate.

What is the CAS number of Indocate?

The CAS registry number of Indocate is 31386-25-1.

What is the molecular formula and weight of Indocate?

The molecular formula of Indocate is C22H26N2O2 and its molar mass is 350.46 g/mol.

What is Indocate used for?

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

Is Indocate hazardous?

No GHS hazard classification for Indocate 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 Indocate?

Indocate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Indocate?

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What is the price of Indocate?

Suppliers quote Indocate 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 Indocate

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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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