8020-8594 Screening compound: 3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide

8020-8594 Screening compound: 3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide
8020-8594 Screening compound: 3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8594
3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]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

8020-8594

Molecular Formula

C29H26N2O6 (C29 H26 N2 O6)

Compound Name

3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]propanamide

IUPAC name

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

SMILES

COc(ccc(C(CC(NCCc1c[nH]c2c1cccc2)=O)C(C(Oc1c2cccc1)=O)=C2O)c1)c1O

InChI

InChI=1S/C29H26N2O6/c1-36-25-11-10-17(14-23(25)32)21(27-28(34)20-7-3-5-9-24(20)37-29(27)35)15-26(33)30-13-12-18-16-31-22-8-4-2-6-19(18)22/h2-11,14,16,21,31-32,34H,12-13,15H2,1H3,(H,30,33)/t21-/m0/s1

InChI Key

DRGPCEPPYZOIQG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30711789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

0.372

Water Solubility, LogSw

-3.31

Polar Surface Area

94.050

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.24

8020-8594 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-8594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8594?
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What is the minimum amount of 8020-8594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8594
  • 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 8020-8594 available by request