E542-2047 Screening compound: N-[(3-chlorophenyl)methyl]-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}propanamide

E542-2047 Screening compound: N-[(3-chlorophenyl)methyl]-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}propanamide
E542-2047 Screening compound: N-[(3-chlorophenyl)methyl]-3-{1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2047
N-[(3-chlorophenyl)methyl]-3-{1-[(4-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

E542-2047

Molecular Formula

C25H22ClFN2O (C25 H22 ClFN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1cn(Cc(cc2)ccc2F)c2c1cccc2)NCc1cccc(Cl)c1

InChI

InChI=1S/C25H22ClFN2O/c26-21-5-3-4-19(14-21)15-28-25(30)13-10-20-17-29(24-7-2-1-6-23(20)24)16-18-8-11-22(27)12-9-18/h1-9,11-12,14,17H,10,13,15-16H2,(H,28,30)

InChI Key

FZUPJPQEYHMMEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.91

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-6.01

Polar Surface Area

26.170

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E542-2047 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E542-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2047?
Check Price and Availability of E542-2047, 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 E542-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2047
  • 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 E542-2047 available by request