3414-0442 Screening compound: 5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

3414-0442 Screening compound: 5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
3414-0442 Screening compound: 5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0442
5,6-dimethyl-2-oxo-1,2-dihydropyridine-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

3414-0442

Molecular Formula

C8H9NO3 (C8 H9 NO3)

Compound Name

5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

IUPAC name

56-dimethyl-2-oxo-12-dihydropyridine-3-carboxylic acid

SMILES

CC(C=C1C(O)=O)=C(C)NC1=O

InChI

InChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12)

InChI Key

RRZTUQQCXRBPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

167.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.149

Distribution Coefficient, logD

-3.151

Water Solubility, LogSw

-1.32

Polar Surface Area

53.176

Acid Dissociation Constant (pKa)

4.40

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3414-0442 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3414-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0442?
Check Price and Availability of 3414-0442, 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 3414-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0442
  • 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 3414-0442 available by request