8020-8593 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

8020-8593 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
8020-8593 Screening compound: 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8593
3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]-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

8020-8593

Molecular Formula

C31H30N2O7 (C31 H30 N2 O7)

Compound Name

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(C(CC(NCCc2c[nH]c3c2cccc3)=O)C(C(Oc2c3cccc2)=O)=C3O)cc(OC)c1OC

InChI

InChI=1S/C31H30N2O7/c1-37-25-14-19(15-26(38-2)30(25)39-3)22(28-29(35)21-9-5-7-11-24(21)40-31(28)36)16-27(34)32-13-12-18-17-33-23-10-6-4-8-20(18)23/h4-11,14-15,17,22,33,35H,12-13,16H2,1-3H3,(H,32,34)/t22-/m0/s1

InChI Key

IAHVEZJAHUEABK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30711788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

0.693

Water Solubility, LogSw

-3.55

Polar Surface Area

92.850

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.58

8020-8593 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-8593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8593?
Check Price and Availability of 8020-8593, 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 8020-8593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8593
  • 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 8020-8593 available by request