L589-2777 Screening compound: 1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide

L589-2777 Screening compound: 1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide
L589-2777 Screening compound: 1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L589-2777
1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide

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

L589-2777

Molecular Formula

C25H31ClN4O (C25 H31 ClN4 O)

Compound Name

1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide

IUPAC name

1-[(5-chloro-1-methyl-1H-indol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide

SMILES

CN(C)c1ccc(CNC(C2CCN(Cc3cn(C)c(cc4)c3cc4Cl)CC2)=O)cc1

InChI

InChI=1S/C25H31ClN4O/c1-28(2)22-7-4-18(5-8-22)15-27-25(31)19-10-12-30(13-11-19)17-20-16-29(3)24-9-6-21(26)14-23(20)24/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,27,31)

InChI Key

QXIILDYQMDMTMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

-0.655

Water Solubility, LogSw

-4.13

Polar Surface Area

33.749

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

11.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L589-2777 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

MCL1 Targeted Library (12200 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L589-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L589-2777?
Check Price and Availability of L589-2777, 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 L589-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L589-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L589-2777
  • 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 L589-2777 available by request