E542-1451 Screening compound: 1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide

E542-1451 Screening compound: 1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide
E542-1451 Screening compound: 1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1451
1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide

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

E542-1451

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide

IUPAC name

1-(3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanoyl)piperidine-4-carboxamide

SMILES

Cc1ccc(Cn2c(cccc3)c3c(CCC(N(CC3)CCC3C(N)=O)=O)c2)cc1

InChI

InChI=1S/C25H29N3O2/c1-18-6-8-19(9-7-18)16-28-17-21(22-4-2-3-5-23(22)28)10-11-24(29)27-14-12-20(13-15-27)25(26)30/h2-9,17,20H,10-16H2,1H3,(H2,26,30)

InChI Key

YYQJMRJYUDRAHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-2.84

Polar Surface Area

52.150

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E542-1451 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E542-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1451?
Check Price and Availability of E542-1451, 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 E542-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1451
  • 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 E542-1451 available by request