6266-1896 Screening compound: 4-[(Z)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-isoxazolone

6266-1896 Screening compound: 4-[(Z)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-isoxazolone
6266-1896 Screening compound: 4-[(Z)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-isoxazolone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6266-1896
4-[(Z)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-isoxazolone

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

6266-1896

Molecular Formula

C13H12ClNO4 (C13 H12 ClNO4)

Compound Name

4-[(Z)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-5-isoxazolone

IUPAC name

(4Z)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CCOc1cc(/C=C(/C(C)=NO2)\C2=O)cc(Cl)c1O

InChI

InChI=1S/C13H12ClNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,16H,3H2,1-2H3

InChI Key

CIGVIMMYKPDFCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.18

Polar Surface Area

57.825

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 6266-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6266-1896?
Check Price and Availability of 6266-1896, 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 6266-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6266-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6266-1896
  • 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 6266-1896 available by request