L413-0544 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

L413-0544 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
L413-0544 Screening compound: 4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0544
4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-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

L413-0544

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

4-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

IUPAC name

4-(1-acetyl-23-dihydro-1H-indol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

SMILES

CCN1CCN(CCNC(c(cc2)ccc2-c(cc2)cc(CC3)c2N3C(C)=O)=O)CC1

InChI

InChI=1S/C25H32N4O2/c1-3-27-14-16-28(17-15-27)13-11-26-25(31)21-6-4-20(5-7-21)22-8-9-24-23(18-22)10-12-29(24)19(2)30/h4-9,18H,3,10-17H2,1-2H3,(H,26,31)

InChI Key

PBUGXKVTZFEFAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

1.476

Water Solubility, LogSw

-2.77

Polar Surface Area

48.159

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L413-0544 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L413-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0544?
Check Price and Availability of L413-0544, 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 L413-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0544
  • 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 L413-0544 available by request