5343-0054 Screening compound: 5,5-dimethyl-2-{[(5-methyl-1,2-oxazol-3-yl)amino]methylidene}cyclohexane-1,3-dione

5343-0054 Screening compound: 5,5-dimethyl-2-{[(5-methyl-1,2-oxazol-3-yl)amino]methylidene}cyclohexane-1,3-dione
5343-0054 Screening compound: 5,5-dimethyl-2-{[(5-methyl-1,2-oxazol-3-yl)amino]methylidene}cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5343-0054
5,5-dimethyl-2-{[(5-methyl-1,2-oxazol-3-yl)amino]methylidene}cyclohexane-1,3-dione

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

5343-0054

Molecular Formula

C13H16N2O3 (C13 H16 N2 O3)

Compound Name

5,5-dimethyl-2-{[(5-methyl-1,2-oxazol-3-yl)amino]methylidene}cyclohexane-1,3-dione

IUPAC name

55-dimethyl-2-{[(5-methyl-12-oxazol-3-yl)amino]methylidene}cyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNc2noc(C)c2)=O)CC1=O

InChI

InChI=1S/C13H16N2O3/c1-8-4-12(15-18-8)14-7-9-10(16)5-13(2,3)6-11(9)17/h4,7H,5-6H2,1-3H3,(H,14,15)

InChI Key

YFWXXGMKXNJULP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01447661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

-0.479

Water Solubility, LogSw

-2.30

Polar Surface Area

60.051

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

5343-0054 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5343-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5343-0054?
Check Price and Availability of 5343-0054, 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 5343-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5343-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5343-0054
  • 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 5343-0054 available by request