8020-8456 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate

8020-8456 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine-8-carboxylate
8020-8456 Screening compound: ethyl 4-(3,4-dimethoxyphenyl)-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 8020-8456
ethyl 4-(3,4-dimethoxyphenyl)-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

8020-8456

Molecular Formula

C19H19NO7 (C19 H19 NO7)

Compound Name

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

IUPAC name

ethyl 4-(34-dimethoxyphenyl)-25-dioxo-2H3H4H5H6H-pyrano[32-c]pyridine-8-carboxylate

SMILES

CCOC(C(C(OC(C1)=O)=C2C1c(cc1)cc(OC)c1OC)=CNC2=O)=O

InChI

InChI=1S/C19H19NO7/c1-4-26-19(23)12-9-20-18(22)16-11(8-15(21)27-17(12)16)10-5-6-13(24-2)14(7-10)25-3/h5-7,9,11H,4,8H2,1-3H3,(H,20,22)/t11-/m0/s1

InChI Key

RJRZMFVVGOJGTP-NSHDSACASA-N

MDL Number (MFCD)

MFCD30711651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.219

Distribution Coefficient, logD

0.028

Water Solubility, LogSw

-2.14

Polar Surface Area

81.639

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with 8020-8456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8456?
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What is the minimum amount of 8020-8456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8456
  • 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 8020-8456 available by request