L588-0044 Screening compound: 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole

L588-0044 Screening compound: 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole
L588-0044 Screening compound: 2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0044
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole

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

L588-0044

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole

IUPAC name

2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-1H-indole

SMILES

COc(cc1)ccc1C(N(CC1)CCN1C(c1cc(cccc2)c2[nH]1)=O)=O

InChI

InChI=1S/C21H21N3O3/c1-27-17-8-6-15(7-9-17)20(25)23-10-12-24(13-11-23)21(26)19-14-16-4-2-3-5-18(16)22-19/h2-9,14,22H,10-13H2,1H3

InChI Key

GKSMPWWKWVJNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09853164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.50

Polar Surface Area

50.236

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L588-0044 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L588-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0044?
Check Price and Availability of L588-0044, 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 L588-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0044
  • 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 L588-0044 available by request