8019-7871 Screening compound: ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate

8019-7871 Screening compound: ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
8019-7871 Screening compound: ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7871
ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-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

8019-7871

Molecular Formula

C12H13NO4 (C12 H13 NO4)

Compound Name

ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

ethyl 25-dioxo-125678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C1=CC(C(CCC2)=O)=C2NC1=O)=O

InChI

InChI=1S/C12H13NO4/c1-2-17-12(16)8-6-7-9(13-11(8)15)4-3-5-10(7)14/h6H,2-5H2,1H3,(H,13,15)

InChI Key

FFOFAQDXXXISML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

-4.455

Water Solubility, LogSw

-1.53

Polar Surface Area

59.088

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8019-7871 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-7871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7871?
Check Price and Availability of 8019-7871, 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 8019-7871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7871
  • 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 8019-7871 available by request