L589-3045 Screening compound: N~4~-[4-(dimethylamino)benzyl]-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide

L589-3045 Screening compound: N~4~-[4-(dimethylamino)benzyl]-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide
L589-3045 Screening compound: N~4~-[4-(dimethylamino)benzyl]-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L589-3045
N~4~-[4-(dimethylamino)benzyl]-1-[(1-ethyl-1H-indol-3-yl)methyl]-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

L589-3045

Molecular Formula

C26H34N4O (C26 H34 N4 O)

Compound Name

N~4~-[4-(dimethylamino)benzyl]-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-1-[(1-ethyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide

SMILES

CCn1c(cccc2)c2c(CN(CC2)CCC2C(NCc(cc2)ccc2N(C)C)=O)c1

InChI

InChI=1S/C26H34N4O/c1-4-30-19-22(24-7-5-6-8-25(24)30)18-29-15-13-21(14-16-29)26(31)27-17-20-9-11-23(12-10-20)28(2)3/h5-12,19,21H,4,13-18H2,1-3H3,(H,27,31)

InChI Key

AEXLOTHIGLKWNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

-2.377

Water Solubility, LogSw

-3.21

Polar Surface Area

32.918

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

13.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

L589-3045 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L589-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L589-3045?
Check Price and Availability of L589-3045, 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 L589-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L589-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L589-3045
  • 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 L589-3045 available by request