6232-2814 Screening compound: 2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-methylpropanal

6232-2814 Screening compound: 2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-methylpropanal
6232-2814 Screening compound: 2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-methylpropanal alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2814
2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-methylpropanal

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

6232-2814

Molecular Formula

C14H12O3 (C14 H12 O3)

Compound Name

2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-methylpropanal

IUPAC name

2-(14-dioxo-14-dihydronaphthalen-2-yl)-2-methylpropanal

SMILES

CC(C)(C=O)C(C(c1c2cccc1)=O)=CC2=O

InChI

InChI=1S/C14H12O3/c1-14(2,8-15)11-7-12(16)9-5-3-4-6-10(9)13(11)17/h3-8H,1-2H3

InChI Key

RBXCNNSCGNJMLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00666862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.89

Polar Surface Area

40.713

Acid Dissociation Constant (pKa)

30.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6232-2814 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6232-2814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2814?
Check Price and Availability of 6232-2814, 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 6232-2814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2814
  • 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 6232-2814 available by request