E542-2394 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide

E542-2394 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide
E542-2394 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2394
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}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

E542-2394

Molecular Formula

C26H23FN2O3 (C26 H23 FN2 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide

SMILES

O=C(CCc1cn(Cc(cccc2)c2F)c2c1cccc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H23FN2O3/c27-22-7-3-1-5-20(22)16-29-15-19(21-6-2-4-8-23(21)29)10-12-26(30)28-14-18-9-11-24-25(13-18)32-17-31-24/h1-9,11,13,15H,10,12,14,16-17H2,(H,28,30)

InChI Key

QUQAQDSODXEBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.99

Polar Surface Area

43.286

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E542-2394 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E542-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2394?
Check Price and Availability of E542-2394, 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 E542-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2394
  • 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 E542-2394 available by request