E542-2417 Screening compound: 3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-N-[2-(4-methylphenyl)ethyl]propanamide

E542-2417 Screening compound: 3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-N-[2-(4-methylphenyl)ethyl]propanamide
E542-2417 Screening compound: 3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-N-[2-(4-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2417
3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-N-[2-(4-methylphenyl)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

E542-2417

Molecular Formula

C27H27FN2O (C27 H27 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CCNC(CCc2cn(Cc(cccc3)c3F)c3c2cccc3)=O)cc1

InChI

InChI=1S/C27H27FN2O/c1-20-10-12-21(13-11-20)16-17-29-27(31)15-14-22-18-30(26-9-5-3-7-24(22)26)19-23-6-2-4-8-25(23)28/h2-13,18H,14-17,19H2,1H3,(H,29,31)

InChI Key

KJXQAPYWOBIJDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

5.230

Water Solubility, LogSw

-5.11

Polar Surface Area

26.012

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E542-2417 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E542-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2417?
Check Price and Availability of E542-2417, 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 E542-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2417
  • 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 E542-2417 available by request