L413-0547 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)benzamide

L413-0547 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)benzamide
L413-0547 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0547
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)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

L413-0547

Molecular Formula

C31H35N3O2 (C31 H35 N3 O2)

Compound Name

4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)benzamide

IUPAC name

4-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)benzamide

SMILES

CC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(NCC1CCN(Cc2ccc(C)cc2)CC1)=O)=O

InChI

InChI=1S/C31H35N3O2/c1-22-3-5-25(6-4-22)21-33-16-13-24(14-17-33)20-32-31(36)27-9-7-26(8-10-27)28-11-12-30-29(19-28)15-18-34(30)23(2)35/h3-12,19,24H,13-18,20-21H2,1-2H3,(H,32,36)

InChI Key

AYSHIIMJHURRKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-4.62

Polar Surface Area

44.531

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

L413-0547 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L413-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0547?
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What is the minimum amount of L413-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0547
  • 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 L413-0547 available by request