8020-8620 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

8020-8620 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
8020-8620 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8620
3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-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

8020-8620

Molecular Formula

C28H25NO8 (C28 H25 NO8)

Compound Name

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

IUPAC name

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-13-benzodioxol-5-yl)propanamide

SMILES

COc1c2OCOc2cc(C(CC(NCCc(cc2)ccc2O)=O)C(C(Oc2c3cccc2)=O)=C3O)c1

InChI

InChI=1S/C28H25NO8/c1-34-22-12-17(13-23-27(22)36-15-35-23)20(14-24(31)29-11-10-16-6-8-18(30)9-7-16)25-26(32)19-4-2-3-5-21(19)37-28(25)33/h2-9,12-13,20,30,32H,10-11,14-15H2,1H3,(H,29,31)/t20-/m0/s1

InChI Key

PQDZDZCNJQJURD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30711814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

-0.129

Water Solubility, LogSw

-3.28

Polar Surface Area

102.048

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8020-8620 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-8620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8620?
Check Price and Availability of 8020-8620, 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 8020-8620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8620
  • 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 8020-8620 available by request