8020-8623 Screening compound: {[4-methyl-2-oxo-6-(palmitoylamino)-2H-chromen-7-yl]oxy}(oxo)[2-(trimethylammonio)ethoxy]phosphoranolate

8020-8623 Screening compound: {[4-methyl-2-oxo-6-(palmitoylamino)-2H-chromen-7-yl]oxy}(oxo)[2-(trimethylammonio)ethoxy]phosphoranolate
8020-8623 Screening compound: {[4-methyl-2-oxo-6-(palmitoylamino)-2H-chromen-7-yl]oxy}(oxo)[2-(trimethylammonio)ethoxy]phosphoranolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8623
{[4-methyl-2-oxo-6-(palmitoylamino)-2H-chromen-7-yl]oxy}(oxo)[2-(trimethylammonio)ethoxy]phosphoranolate

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

8020-8623

Molecular Formula

C31H51N2O7P (C31 H51 N2 O7 P)

Compound Name

{[4-methyl-2-oxo-6-(palmitoylamino)-2H-chromen-7-yl]oxy}(oxo)[2-(trimethylammonio)ethoxy]phosphoranolate

IUPAC name

6-hexadecanamido-4-methyl-2-oxo-2H-chromen-7-yl 2-(trimethylazaniumyl)ethyl phosphate

SMILES

CCCCCCCCCCCCCCCC(Nc(cc(C(C)=CC(O1)=O)c1c1)c1OP([O-])(OCC[N+](C)(C)C)=O)=O

InChI

InChI=1S/C31H51N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)32-27-23-26-25(2)22-31(35)39-28(26)24-29(27)40-41(36,37)38-21-20-33(3,4)5/h22-24H,6-21H2,1-5H3,(H-,32,34,36,37)

InChI Key

QFILBKCHKGLJKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28399044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-5.29

Polar Surface Area

87.712

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

67.74

8020-8623 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-8623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8623?
Check Price and Availability of 8020-8623, 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 8020-8623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8623
  • 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 8020-8623 available by request