L588-0057 Screening compound: 1-[4-(1H-indol-2-ylcarbonyl)piperazino]-2-(2-thienyl)-1-ethanone

L588-0057 Screening compound: 1-[4-(1H-indol-2-ylcarbonyl)piperazino]-2-(2-thienyl)-1-ethanone
L588-0057 Screening compound: 1-[4-(1H-indol-2-ylcarbonyl)piperazino]-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0057
1-[4-(1H-indol-2-ylcarbonyl)piperazino]-2-(2-thienyl)-1-ethanone

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

L588-0057

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

1-[4-(1H-indol-2-ylcarbonyl)piperazino]-2-(2-thienyl)-1-ethanone

IUPAC name

1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CC1)CCN1C(c1cc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C19H19N3O2S/c23-18(13-15-5-3-11-25-15)21-7-9-22(10-8-21)19(24)17-12-14-4-1-2-6-16(14)20-17/h1-6,11-12,20H,7-10,13H2

InChI Key

BBDMDHMXGXMTNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16923697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.28

Polar Surface Area

43.183

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

L588-0057 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L588-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0057?
Check Price and Availability of L588-0057, 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 L588-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0057
  • 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 L588-0057 available by request