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Heterocyclic building blocks

Mdmb-inaca

Also known as Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate, 4f-Mdmb binaca b-16 metabolite, methyl(s)-2-(1h-indazole-3-carboxamido)-3,3-dimethylbutanoate

CAS 2709672-58-0Formula C15H19N3O3Molar mass 289.34 g/mol
Prohibited, not for trade
Why it is not for trade
Mdmb-inaca chemical structure, C15H19N3O3, CAS 2709672-58-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2709672-58-0
Formula
C15H19N3O3
Molar mass
289.34 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Mdmb-inaca?

Plain description, key identifiers and synonyms

Mdmb-inaca is a chemical substance with the molecular formula C15H19N3O3 and a molar mass of 289.34 g/mol. Its CAS registry number is 2709672-58-0. The IUPAC name is methyl (2S)-2-(1H-indazole-3-carbonylamino)-3,3-dimethylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2S)-2-(1H-indazole-3-carbonylamino)-3,3-dimethylbutanoate
CAS number
2709672-58-0
Molecular formula
C15H19N3O3
UNII
N2R368RE68
InChIKey
QEXPVGIGOZJEOO-GFCCVEGCSA-N
InChI
InChI=1S/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
Canonical SMILES
COC(=O)C(NC(=O)c1n[nH]c2ccccc12)C(C)(C)C
Isomeric SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NNC2=CC=CC=C21

Synonyms

  • Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
  • 4f-Mdmb binaca b-16 metabolite
  • methyl(s)-2-(1h-indazole-3-carboxamido)-3,3-dimethylbutanoate
  • N-(1H-Indazol-3-ylcarbonyl)-3-methyl-L-valine methyl ester
  • L-Valine, N-(1H-indazol-3-ylcarbonyl)-3-methyl-, methyl ester
  • methyl (2S)-2-(1H-indazole-3-carbonylamino)-3,3-dimethylbutanoate
  • methyl (2S)-2-[(1H-indazol-3-yl)formamido]-3,3-dimethylbutanoate
  • RegulationMethyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate

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
289.34 g/molcalc.
Exact mass
289.1426 Dacalc.
LogP (octanol/water)
1.88calc.
Topological polar surface area
84.08 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc2[nH]ncc2c1

c1ccc2[nH]ncc2c1

2 rings, 9 atoms, the 1H-Indazole ring system.

8,591 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.

Mdmb-inaca suppliers

Trading restrictions apply to this substance

New psychoactive substance

Mdmb-inaca is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Mdmb-inaca price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

New psychoactive substance

Mdmb-inaca is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Controls

  • New psychoactive substance under control

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mdmb-inaca 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 Mdmb-inaca is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mdmb-inaca, based on the data on this page

What is Mdmb-inaca?

Mdmb-inaca is a chemical substance with the molecular formula C15H19N3O3 and a molar mass of 289.34 g/mol. Its CAS registry number is 2709672-58-0. The IUPAC name is methyl (2S)-2-(1H-indazole-3-carbonylamino)-3,3-dimethylbutanoate.

What is the CAS number of Mdmb-inaca?

The CAS registry number of Mdmb-inaca is 2709672-58-0.

What is the molecular formula and weight of Mdmb-inaca?

The molecular formula of Mdmb-inaca is C15H19N3O3 and its molar mass is 289.34 g/mol.

What is Mdmb-inaca used for?

Known uses and roles of Mdmb-inaca include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mdmb-inaca hazardous?

No GHS hazard classification for Mdmb-inaca 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 Mdmb-inaca?

Mdmb-inaca 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.

Can I buy Mdmb-inaca on CompoundList?

No. Mdmb-inaca is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Mdmb-inaca

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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