K076-0681 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0681 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0681 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0681
(4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-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

K076-0681

Molecular Formula

C18H14BrNO3 (C18 H14 BrNO3)

Compound Name

(4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

CCOc1c(/C=C2\N=C(c(cc3)ccc3Br)OC2=O)cccc1

InChI

InChI=1S/C18H14BrNO3/c1-2-22-16-6-4-3-5-13(16)11-15-18(21)23-17(20-15)12-7-9-14(19)10-8-12/h3-11H,2H2,1H3

InChI Key

DEFNRVMZCXCIRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01054107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.57

Polar Surface Area

37.586

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K076-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0681?
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What is the minimum amount of K076-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0681
  • 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 K076-0681 available by request