D380-0226 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

D380-0226 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
D380-0226 Screening compound: N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0226
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

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

D380-0226

Molecular Formula

C24H21BrN2O2 (C24 H21 BrN2 O2)

Compound Name

N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

IUPAC name

N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)NCC(c1c[nH]c2c1cccc2)c(cc1)ccc1Br

InChI

InChI=1S/C24H21BrN2O2/c25-18-12-10-17(11-13-18)21(22-15-26-23-9-5-4-8-20(22)23)14-27-24(28)16-29-19-6-2-1-3-7-19/h1-13,15,21,26H,14,16H2,(H,27,28)/t21-/m1/s1

InChI Key

SBSRHCVLDQZYAZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12918179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.68

Polar Surface Area

41.537

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D380-0226 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D380-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0226?
Check Price and Availability of D380-0226, 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 D380-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0226
  • 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 D380-0226 available by request