8020-8464 Screening compound: ethyl 4-(2-chloro-4-fluorophenyl)-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

8020-8464 Screening compound: ethyl 4-(2-chloro-4-fluorophenyl)-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate
8020-8464 Screening compound: ethyl 4-(2-chloro-4-fluorophenyl)-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 8020-8464
ethyl 4-(2-chloro-4-fluorophenyl)-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

8020-8464

Molecular Formula

C17H13ClFNO5 (C17 H13 ClFNO5)

Compound Name

ethyl 4-(2-chloro-4-fluorophenyl)-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

IUPAC name

ethyl 4-(2-chloro-4-fluorophenyl)-25-dioxo-2H3H4H5H6H-pyrano[32-c]pyridine-8-carboxylate

SMILES

CCOC(C(C(OC(C1)=O)=C2C1c(ccc(F)c1)c1Cl)=CNC2=O)=O

InChI

InChI=1S/C17H13ClFNO5/c1-2-24-17(23)11-7-20-16(22)14-10(6-13(21)25-15(11)14)9-4-3-8(19)5-12(9)18/h3-5,7,10H,2,6H2,1H3,(H,20,22)/t10-/m0/s1

InChI Key

JXBQJAXJXVFTPH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD30711659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.510

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-3.32

Polar Surface Area

66.378

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

8020-8464 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8464?
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What is the minimum amount of 8020-8464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8464
  • 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 8020-8464 available by request