CompoundList
Sign in
Screening compounds

LB-42908

Also known as LB 42908, 1-(1-((1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine, 1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine

CAS 226927-89-5Formula C32H33N5O3Molar mass 535.65 g/mol
Get quotes Safety data
LB-42908 chemical structure, C32H33N5O3, CAS 226927-89-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
226927-89-5
Formula
C32H33N5O3
Molar mass
535.65 g/mol
HS code
293499
Category
Screening compounds

What is LB-42908?

Plain description, key identifiers and synonyms

LB42908 is a member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity. It has a role as an antineoplastic agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor and an apoptosis inducer. It is a member of imidazoles, a member of naphthalenes, a benzodioxole, a N-acylpiperazine, a N-methylpiperazine and a pyrrolecarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[1-[[3-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CAS number
226927-89-5
Molecular formula
C32H33N5O3
InChIKey
VZWZHIJGBPHRDI-UHFFFAOYSA-N
InChI
InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3
SMILES (canonical and isomeric)
CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC7C(C=C6)OCO7

Synonyms

  • LB 42908
  • 1-(1-((1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine
  • 1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine
  • [1-[[3-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
  • [1-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]-methyl}-4-(1-naphtyl)-1H-pyrrol-3-yl](4-methyl-1-piperazynyl)methanone
  • [1-{[1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrol-3-yl](4-methylpiperazin-1-yl)methanone

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
535.65 g/molcalc.
Exact mass
535.2583 Dacalc.
LogP (octanol/water)
4.18calc.
Topological polar surface area
64.76 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
40calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C(c1cn(Cc2cncn2CC2=CC3OCOC3C=C2)cc1-c1cccc2ccccc12)N1CCNCC1

O=C(c1cn(Cc2cncn2CC2=CC3OCOC3C=C2)cc1-c1cccc2ccccc12)N1CCNCC1

7 rings, 39 atoms.

No other chemical in our database has 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.

LB-42908 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade LB-42908 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

LB-42908 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • pharmaceutical

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 LB-42908 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for LB-42908 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LB-42908, based on the data on this page

What is LB-42908?

LB42908 is a member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively.

What is the CAS number of LB-42908?

The CAS registry number of LB-42908 is 226927-89-5.

What is the molecular formula and weight of LB-42908?

The molecular formula of LB-42908 is C32H33N5O3 and its molar mass is 535.65 g/mol.

What is LB-42908 used for?

Known uses and roles of LB-42908 include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, apoptosis inducer, enzyme inhibitor and 1 more.

Is LB-42908 hazardous?

No GHS hazard classification for LB-42908 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 LB-42908?

LB-42908 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LB-42908?

Post a free request on CompoundList and suppliers of LB-42908 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LB-42908?

Suppliers quote LB-42908 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 LB-42908

Get quotes for LB-42908

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell LB-42908
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of LB-42908 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/lb-42908-226927-89-5" title="LB-42908 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes