E542-2552 Screening compound: N-cyclohexyl-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide

E542-2552 Screening compound: N-cyclohexyl-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide
E542-2552 Screening compound: N-cyclohexyl-3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2552
N-cyclohexyl-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

E542-2552

Molecular Formula

C24H27FN2O (C24 H27 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1cn(Cc(cccc2)c2F)c2c1cccc2)NC1CCCCC1

InChI

InChI=1S/C24H27FN2O/c25-22-12-6-4-8-19(22)17-27-16-18(21-11-5-7-13-23(21)27)14-15-24(28)26-20-9-2-1-3-10-20/h4-8,11-13,16,20H,1-3,9-10,14-15,17H2,(H,26,28)

InChI Key

XTYJNEYDIOMPCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-5.69

Polar Surface Area

25.896

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E542-2552 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E542-2552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2552?
Check Price and Availability of E542-2552, 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 E542-2552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2552
  • 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 E542-2552 available by request