4790-0022 Screening compound: 3,7-diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate

4790-0022 Screening compound: 3,7-diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate
4790-0022 Screening compound: 3,7-diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-0022
3,7-diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate

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

4790-0022

Molecular Formula

C15H15NO5 (C15 H15 NO5)

Compound Name

3,7-diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate

IUPAC name

37-diethyl 4-oxo-14-dihydroquinoline-37-dicarboxylate

SMILES

CCOC(c(cc1)cc(NC=C2C(OCC)=O)c1C2=O)=O

InChI

InChI=1S/C15H15NO5/c1-3-20-14(18)9-5-6-10-12(7-9)16-8-11(13(10)17)15(19)21-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)

InChI Key

ITHPPFOLFJCUPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-3.07

Polar Surface Area

65.865

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4790-0022 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4790-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-0022?
Check Price and Availability of 4790-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4790-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-0022
  • 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 4790-0022 available by request