2595-1101 Screening compound: 3,8-diethyl 4-oxo-1,4-dihydroquinoline-3,8-dicarboxylate

2595-1101 Screening compound: 3,8-diethyl 4-oxo-1,4-dihydroquinoline-3,8-dicarboxylate
2595-1101 Screening compound: 3,8-diethyl 4-oxo-1,4-dihydroquinoline-3,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1101
3,8-diethyl 4-oxo-1,4-dihydroquinoline-3,8-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

2595-1101

Molecular Formula

C15H15NO5 (C15 H15 NO5)

Compound Name

3,8-diethyl 4-oxo-1,4-dihydroquinoline-3,8-dicarboxylate

IUPAC name

38-diethyl 4-oxo-14-dihydroquinoline-38-dicarboxylate

SMILES

CCOC(c1cccc2c1NC=C(C(OCC)=O)C2=O)=O

InChI

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

InChI Key

APFSWCWNNDCXNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847817

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

1.973

Distribution Coefficient, logD

-1.998

Water Solubility, LogSw

-2.52

Polar Surface Area

63.613

Acid Dissociation Constant (pKa)

3.43

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

2595-1101 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2595-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1101?
Check Price and Availability of 2595-1101, 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 2595-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1101
  • 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 2595-1101 available by request