8018-5423 Screening compound: ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate

8018-5423 Screening compound: ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate
8018-5423 Screening compound: ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H,5H,6H-pyrano[3,2-c]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5423
ethyl 2-amino-4-(4-chlorophenyl)-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

8018-5423

Molecular Formula

C21H17ClN2O4 (C21 H17 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cc2)ccc2Cl)=C(N)OC(c(cccc2)c2N2)=C1C2=O)=O

InChI

InChI=1S/C21H17ClN2O4/c1-2-27-21(26)17-15(11-7-9-12(22)10-8-11)16-18(28-19(17)23)13-5-3-4-6-14(13)24-20(16)25/h3-10,15H,2,23H2,1H3,(H,24,25)/t15-/m1/s1

InChI Key

MMTFPBFSDUCJAA-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-4.35

Polar Surface Area

75.353

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8018-5423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5423?
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What is the minimum amount of 8018-5423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5423
  • 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 8018-5423 available by request