8020-8571 Screening compound: N~1~-(4-fluorophenethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)propanamide

8020-8571 Screening compound: N~1~-(4-fluorophenethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)propanamide
8020-8571 Screening compound: N~1~-(4-fluorophenethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8571
N~1~-(4-fluorophenethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)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

8020-8571

Molecular Formula

C24H24FNO5 (C24 H24 FNO5)

Compound Name

N~1~-(4-fluorophenethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)propanamide

IUPAC name

N-[2-(4-fluorophenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)propanamide

SMILES

CC(O1)=CC(O)=C(C(CC(NCCc(cc2)ccc2F)=O)c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C24H24FNO5/c1-15-13-21(27)23(24(29)31-15)20(17-5-9-19(30-2)10-6-17)14-22(28)26-12-11-16-3-7-18(25)8-4-16/h3-10,13,20,27H,11-12,14H2,1-2H3,(H,26,28)/t20-/m0/s1

InChI Key

FFZVLKHBNLCLGY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30711766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

-0.459

Water Solubility, LogSw

-2.91

Polar Surface Area

69.456

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-8571 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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 8020-8571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8571?
Check Price and Availability of 8020-8571, 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 8020-8571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8571
  • 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 8020-8571 available by request