L589-3046 Screening compound: 1-[(1-ethyl-1H-indol-3-yl)methyl]-N-[3-(methylanilino)propyl]-4-piperidinecarboxamide

L589-3046 Screening compound: 1-[(1-ethyl-1H-indol-3-yl)methyl]-N-[3-(methylanilino)propyl]-4-piperidinecarboxamide
L589-3046 Screening compound: 1-[(1-ethyl-1H-indol-3-yl)methyl]-N-[3-(methylanilino)propyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L589-3046
1-[(1-ethyl-1H-indol-3-yl)methyl]-N-[3-(methylanilino)propyl]-4-piperidinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L589-3046

Molecular Formula

C27H36N4O (C27 H36 N4 O)

Compound Name

1-[(1-ethyl-1H-indol-3-yl)methyl]-N-[3-(methylanilino)propyl]-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

CCn1c(cccc2)c2c(CN(CC2)CCC2C(NCCCN(C)c2ccccc2)=O)c1

InChI

InChI=1S/C27H36N4O/c1-3-31-21-23(25-12-7-8-13-26(25)31)20-30-18-14-22(15-19-30)27(32)28-16-9-17-29(2)24-10-5-4-6-11-24/h4-8,10-13,21-22H,3,9,14-20H2,1-2H3,(H,28,32)

InChI Key

MGADAHBWFVBBGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

-2.379

Water Solubility, LogSw

-3.17

Polar Surface Area

33.159

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

13.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

L589-3046 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L589-3046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L589-3046?
Check Price and Availability of L589-3046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L589-3046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L589-3046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L589-3046
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L589-3046 available by request