8020-8478 Screening compound: 3-(1,3-benzodioxol-5-yl)-N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanamide

8020-8478 Screening compound: 3-(1,3-benzodioxol-5-yl)-N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanamide
8020-8478 Screening compound: 3-(1,3-benzodioxol-5-yl)-N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8478
3-(1,3-benzodioxol-5-yl)-N~1~-(3-ethoxy-4-methoxybenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)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

8020-8478

Molecular Formula

C29H27NO8 (C29 H27 NO8)

Compound Name

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

IUPAC name

3-(2H-13-benzodioxol-5-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanamide

SMILES

CCOc(cc(CNC(CC(c(cc1)cc2c1OCO2)C(C(Oc1c2cccc1)=O)=C2O)=O)cc1)c1OC

InChI

InChI=1S/C29H27NO8/c1-3-35-24-12-17(8-10-22(24)34-2)15-30-26(31)14-20(18-9-11-23-25(13-18)37-16-36-23)27-28(32)19-6-4-5-7-21(19)38-29(27)33/h4-13,20,32H,3,14-16H2,1-2H3,(H,30,31)/t20-/m0/s1

InChI Key

IEDXXNDFIUTHII-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30711673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

0.559

Water Solubility, LogSw

-3.40

Polar Surface Area

92.116

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

References: we are preparing a list of scientific research reports with 8020-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8478?
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What is the minimum amount of 8020-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8478
  • 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 8020-8478 available by request