K088-0516 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

K088-0516 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
K088-0516 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-0516
(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

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

K088-0516

Molecular Formula

C18H12ClNO5 (C18 H12 ClNO5)

Compound Name

(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(2H-13-benzodioxol-5-yl)methylidene]-2-(2-chloro-4-methoxyphenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc(cc1)cc(Cl)c1C(OC1=O)=N/C1=C\c(cc1)cc2c1OCO2

InChI

InChI=1S/C18H12ClNO5/c1-22-11-3-4-12(13(19)8-11)17-20-14(18(21)25-17)6-10-2-5-15-16(7-10)24-9-23-15/h2-8H,9H2,1H3

InChI Key

CJEXQQMLNZTWIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.40

Polar Surface Area

55.035

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K088-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-0516?
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What is the minimum amount of K088-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-0516
  • 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 K088-0516 available by request