8020-8452 Screening compound: ethyl 4-{2-[(2-fluorobenzyl)oxy]phenyl}-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

8020-8452 Screening compound: ethyl 4-{2-[(2-fluorobenzyl)oxy]phenyl}-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate
8020-8452 Screening compound: ethyl 4-{2-[(2-fluorobenzyl)oxy]phenyl}-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8452
ethyl 4-{2-[(2-fluorobenzyl)oxy]phenyl}-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

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

8020-8452

Molecular Formula

C24H20FNO6 (C24 H20 FNO6)

Compound Name

ethyl 4-{2-[(2-fluorobenzyl)oxy]phenyl}-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

IUPAC name

ethyl 4-{2-[(2-fluorophenyl)methoxy]phenyl}-25-dioxo-2H3H4H5H6H-pyrano[32-c]pyridine-8-carboxylate

SMILES

CCOC(C(C(OC(C1)=O)=C2C1c(cccc1)c1OCc(cccc1)c1F)=CNC2=O)=O

InChI

InChI=1S/C24H20FNO6/c1-2-30-24(29)17-12-26-23(28)21-16(11-20(27)32-22(17)21)15-8-4-6-10-19(15)31-13-14-7-3-5-9-18(14)25/h3-10,12,16H,2,11,13H2,1H3,(H,26,28)/t16-/m0/s1

InChI Key

RNSHWCQHLYKSSZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30711647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-3.64

Polar Surface Area

73.693

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8020-8452 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8452?
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What is the minimum amount of 8020-8452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8452
  • 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 8020-8452 available by request