K088-0989 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

K088-0989 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one
K088-0989 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-0989
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-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

K088-0989

Molecular Formula

C20H16N2O6 (C20 H16 N2 O6)

Compound Name

(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-[(23-dimethoxyphenyl)methylidene]-2-[(1Z)-2-(3-nitrophenyl)ethenyl]-45-dihydro-13-oxazol-5-one

SMILES

COc1cccc(/C=C2/N=C(/C=C\c3cccc([N+]([O-])=O)c3)OC2=O)c1OC

InChI

InChI=1S/C20H16N2O6/c1-26-17-8-4-6-14(19(17)27-2)12-16-20(23)28-18(21-16)10-9-13-5-3-7-15(11-13)22(24)25/h3-12H,1-2H3

InChI Key

ZRODHFAECCWNKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-4.16

Polar Surface Area

79.251

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K088-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-0989?
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What is the minimum amount of K088-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-0989
  • 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 K088-0989 available by request