D380-0331 Screening compound: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide

D380-0331 Screening compound: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
D380-0331 Screening compound: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0331
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)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

D380-0331

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(CNC(COc2ccccc2)=O)c2c[nH]c3c2cccc3)cc1

InChI

InChI=1S/C25H24N2O3/c1-29-19-13-11-18(12-14-19)22(23-16-26-24-10-6-5-9-21(23)24)15-27-25(28)17-30-20-7-3-2-4-8-20/h2-14,16,22,26H,15,17H2,1H3,(H,27,28)/t22-/m1/s1

InChI Key

AGAAPCKBMLBWNN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12307560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.32

Polar Surface Area

49.080

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

D380-0331 in Drug Discovery

Included in Screening Libraries

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 D380-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0331?
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What is the minimum amount of D380-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0331
  • 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 D380-0331 available by request