8018-5421 Screening compound: ethyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate

8018-5421 Screening compound: ethyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate
8018-5421 Screening compound: ethyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5421
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-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

8018-5421

Molecular Formula

C23H22N2O6 (C23 H22 N2 O6)

Compound Name

ethyl 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate

IUPAC name

ethyl 2-amino-4-(34-dimethoxyphenyl)-5-oxo-4H5H6H-pyrano[32-c]quinoline-3-carboxylate

SMILES

CCOC(C(C1c(cc2)cc(OC)c2OC)=C(N)OC(c(cccc2)c2N2)=C1C2=O)=O

InChI

InChI=1S/C23H22N2O6/c1-4-30-23(27)19-17(12-9-10-15(28-2)16(11-12)29-3)18-20(31-21(19)24)13-7-5-6-8-14(13)25-22(18)26/h5-11,17H,4,24H2,1-3H3,(H,25,26)/t17-/m1/s1

InChI Key

FVKLRUKYBYKNQN-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-3.09

Polar Surface Area

90.614

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 8018-5421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5421?
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What is the minimum amount of 8018-5421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5421
  • 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 8018-5421 available by request