N038-0002 Screening compound: 4,8-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

N038-0002 Screening compound: 4,8-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
N038-0002 Screening compound: 4,8-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N038-0002
4,8-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

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

N038-0002

Molecular Formula

C12H11NO5 (C12 H11 NO5)

Compound Name

4,8-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

IUPAC name

48-dimethoxy-2-oxo-12-dihydroquinoline-3-carboxylic acid

SMILES

COc(cccc1C(OC)=C2C(O)=O)c1NC2=O

InChI

InChI=1S/C12H11NO5/c1-17-7-5-3-4-6-9(7)13-11(14)8(12(15)16)10(6)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16)

InChI Key

FNXGDPWXITYSJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.184

Distribution Coefficient, logD

-2.635

Water Solubility, LogSw

-2.13

Polar Surface Area

66.764

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

N038-0002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N038-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N038-0002?
Check Price and Availability of N038-0002, 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 N038-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N038-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N038-0002
  • 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 N038-0002 available by request