L588-0417 Screening compound: 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

L588-0417 Screening compound: 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one
L588-0417 Screening compound: 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0417
1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

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

L588-0417

Molecular Formula

C22H22BrN3O4 (C22 H22 BrN3 O4)

Compound Name

1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

IUPAC name

1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one

SMILES

COc(cc1)ccc1OCC(N(CC1)CCN1C(c1cc(cc(cc2)Br)c2[nH]1)=O)=O

InChI

InChI=1S/C22H22BrN3O4/c1-29-17-3-5-18(6-4-17)30-14-21(27)25-8-10-26(11-9-25)22(28)20-13-15-12-16(23)2-7-19(15)24-20/h2-7,12-13,24H,8-11,14H2,1H3

InChI Key

YILCEKFCCQGNMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.52

Polar Surface Area

57.208

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L588-0417 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)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L588-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0417?
Check Price and Availability of L588-0417, 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 L588-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0417
  • 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 L588-0417 available by request