3268-0133 Screening compound: 4-{(E)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-5(4H)-isoxazolone

3268-0133 Screening compound: 4-{(E)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-5(4H)-isoxazolone
3268-0133 Screening compound: 4-{(E)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-5(4H)-isoxazolone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3268-0133
4-{(E)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-5(4H)-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

3268-0133

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

4-{(E)-1-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-5(4H)-isoxazolone

IUPAC name

(4E)-4-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CCOc(cc(/C=C(\C(C)=NO1)/C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C20H19NO4/c1-3-23-19-12-16(11-17-14(2)21-25-20(17)22)9-10-18(19)24-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b17-11+

InChI Key

KSNLKMALODNDCO-GZTJUZNOSA-N

MDL Number (MFCD)

MFCD01133155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.45

Polar Surface Area

49.661

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3268-0133 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 3268-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3268-0133?
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What is the minimum amount of 3268-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3268-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3268-0133
  • 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 3268-0133 available by request