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Screening compounds

Mdmb-binaca

Also known as Mdmb-butinaca, Methyl 2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethyl-butanoate, Methyl N-[(1-butyl-1H-indazol-3-yl)carbonyl]-3-methyl-L-valinate

CAS 3039541-81-3Formula C19H27N3O3Molar mass 345.44 g/mol
Prohibited, not for trade
Why it is not for trade
Mdmb-binaca chemical structure, C19H27N3O3, CAS 3039541-81-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3039541-81-3
Formula
C19H27N3O3
Molar mass
345.44 g/mol
HS code
293399
Category
Screening compounds

What is Mdmb-binaca?

Plain description, key identifiers and synonyms

Mdmb-binaca is a chemical substance with the molecular formula C19H27N3O3 and a molar mass of 345.44 g/mol. Its CAS registry number is 3039541-81-3. The IUPAC name is methyl (2S)-2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2S)-2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CAS number
3039541-81-3
Molecular formula
C19H27N3O3
UNII
AN7ERQ8YHM
InChIKey
YHAWFWPNIXPRDT-MRXNPFEDSA-N
InChI
InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1
Canonical SMILES
CCCCn1nc(C(=O)NC(C(=O)OC)C(C)(C)C)c2ccccc21
Isomeric SMILES
CCCCN1C2=CC=CC=C2C(=N1)C(=O)N[C@H](C(=O)OC)C(C)(C)C

Synonyms

  • Mdmb-butinaca
  • Methyl 2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethyl-butanoate
  • Methyl N-[(1-butyl-1H-indazol-3-yl)carbonyl]-3-methyl-L-valinate
  • L-Valine, N-[(1-butyl-1H-indazol-3-yl)carbonyl]-3-methyl-, methyl 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
345.44 g/molcalc.
Exact mass
345.2052 Dacalc.
LogP (octanol/water)
3.15calc.
Topological polar surface area
73.22 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.53calc.
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-binaca suppliers

Trading restrictions apply to this substance

New psychoactive substance

Mdmb-binaca 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-binaca 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-binaca 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-binaca 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-binaca is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Mdmb-binaca?

Mdmb-binaca is a chemical substance with the molecular formula C19H27N3O3 and a molar mass of 345.44 g/mol. Its CAS registry number is 3039541-81-3. The IUPAC name is methyl (2S)-2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethylbutanoate.

What is the CAS number of Mdmb-binaca?

The CAS registry number of Mdmb-binaca is 3039541-81-3.

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

The molecular formula of Mdmb-binaca is C19H27N3O3 and its molar mass is 345.44 g/mol.

What is Mdmb-binaca used for?

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

Is Mdmb-binaca hazardous?

No GHS hazard classification for Mdmb-binaca 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-binaca?

Mdmb-binaca 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-binaca on CompoundList?

No. Mdmb-binaca 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-binaca

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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