8020-8480 Screening compound: N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

8020-8480 Screening compound: N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
8020-8480 Screening compound: N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8480
N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3,4,5-trimethoxyphenyl)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

8020-8480

Molecular Formula

C31H33NO9 (C31 H33 NO9)

Compound Name

N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(345-trimethoxyphenyl)propanamide

SMILES

CCOc(cc(CNC(CC(c(cc1OC)cc(OC)c1OC)C(C(Oc1c2cccc1)=O)=C2O)=O)cc1)c1OC

InChI

InChI=1S/C31H33NO9/c1-6-40-24-13-18(11-12-23(24)36-2)17-32-27(33)16-21(19-14-25(37-3)30(39-5)26(15-19)38-4)28-29(34)20-9-7-8-10-22(20)41-31(28)35/h7-15,21,34H,6,16-17H2,1-5H3,(H,32,33)/t21-/m0/s1

InChI Key

MXIIIFHXTHQHLN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30711675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

0.328

Water Solubility, LogSw

-3.40

Polar Surface Area

97.978

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.03

References: we are preparing a list of scientific research reports with 8020-8480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8480?
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What is the minimum amount of 8020-8480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8480
  • 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 8020-8480 available by request