E542-2749 Screening compound: 3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

E542-2749 Screening compound: 3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide
E542-2749 Screening compound: 3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2749
3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

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

E542-2749

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

IUPAC name

3-{1-[(2-methylphenyl)methyl]-1H-indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]propanamide

SMILES

Cc1c(Cn2c(cccc3)c3c(CCC(NCCN3CCOCC3)=O)c2)cccc1

InChI

InChI=1S/C25H31N3O2/c1-20-6-2-3-7-21(20)18-28-19-22(23-8-4-5-9-24(23)28)10-11-25(29)26-12-13-27-14-16-30-17-15-27/h2-9,19H,10-18H2,1H3,(H,26,29)

InChI Key

DQPHMAQUQIWHGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.17

Polar Surface Area

37.903

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E542-2749 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PI3K-Targeted Library (17255 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with E542-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2749?
Check Price and Availability of E542-2749, 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 E542-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2749
  • 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 E542-2749 available by request