L588-0670 Screening compound: 1-{4-[(3-methyl-1H-indol-2-yl)carbonyl]piperazino}-2-(3-methylphenoxy)-1-ethanone

L588-0670 Screening compound: 1-{4-[(3-methyl-1H-indol-2-yl)carbonyl]piperazino}-2-(3-methylphenoxy)-1-ethanone
L588-0670 Screening compound: 1-{4-[(3-methyl-1H-indol-2-yl)carbonyl]piperazino}-2-(3-methylphenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0670
1-{4-[(3-methyl-1H-indol-2-yl)carbonyl]piperazino}-2-(3-methylphenoxy)-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

L588-0670

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

1-{4-[(3-methyl-1H-indol-2-yl)carbonyl]piperazino}-2-(3-methylphenoxy)-1-ethanone

IUPAC name

1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethan-1-one

SMILES

Cc1c(C(N(CC2)CCN2C(COc2cc(C)ccc2)=O)=O)[nH]c2c1cccc2

InChI

InChI=1S/C23H25N3O3/c1-16-6-5-7-18(14-16)29-15-21(27)25-10-12-26(13-11-25)23(28)22-17(2)19-8-3-4-9-20(19)24-22/h3-9,14,24H,10-13,15H2,1-2H3

InChI Key

FVTDQZGSPZTQJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.10

Polar Surface Area

50.434

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

L588-0670 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with L588-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0670?
Check Price and Availability of L588-0670, 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 L588-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0670
  • 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 L588-0670 available by request