L413-0559 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide

L413-0559 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide
L413-0559 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0559
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide

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

L413-0559

Molecular Formula

C29H31FN4O2 (C29 H31 FN4 O2)

Compound Name

4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide

IUPAC name

4-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}benzamide

SMILES

CC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(NCCN(CC1)CCN1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C29H31FN4O2/c1-21(35)34-14-12-25-20-24(10-11-27(25)34)22-6-8-23(9-7-22)29(36)31-13-15-32-16-18-33(19-17-32)28-5-3-2-4-26(28)30/h2-11,20H,12-19H2,1H3,(H,31,36)

InChI Key

MXCPWNNURSWSQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.02

Polar Surface Area

47.582

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

L413-0559 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L413-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0559?
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What is the minimum amount of L413-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0559
  • 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 L413-0559 available by request