E542-1166 Screening compound: 3-{1-[(4-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-N-[(2-ETHOXYPHENYL)METHYL]PROPANAMIDE

E542-1166 Screening compound: 3-{1-[(4-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-N-[(2-ETHOXYPHENYL)METHYL]PROPANAMIDE
E542-1166 Screening compound: 3-{1-[(4-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-N-[(2-ETHOXYPHENYL)METHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1166
3-{1-[(4-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-N-[(2-ETHOXYPHENYL)METHYL]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

E542-1166

Molecular Formula

C27H27ClN2O2 (C27 H27 ClN2 O2)

Compound Name

3-{1-[(4-CHLOROPHENYL)METHYL]-1H-INDOL-3-YL}-N-[(2-ETHOXYPHENYL)METHYL]PROPANAMIDE

IUPAC name

n/a

SMILES

CCOc1c(CNC(CCc2cn(Cc(cc3)ccc3Cl)c3c2cccc3)=O)cccc1

InChI

InChI=1S/C27H27ClN2O2/c1-2-32-26-10-6-3-7-21(26)17-29-27(31)16-13-22-19-30(25-9-5-4-8-24(22)25)18-20-11-14-23(28)15-12-20/h3-12,14-15,19H,2,13,16-18H2,1H3,(H,29,31)

InChI Key

NPFTZLKYDBNFSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.931

Distribution Coefficient, logD

5.931

Water Solubility, LogSw

-6.04

Polar Surface Area

33.381

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

E542-1166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E542-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1166?
Check Price and Availability of E542-1166, 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 E542-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1166
  • 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 E542-1166 available by request