K076-0617 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0617 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0617 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0617
(4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-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

K076-0617

Molecular Formula

C19H14BrNO2 (C19 H14 BrNO2)

Compound Name

(4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-bromophenyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-45-dihydro-13-oxazol-5-one

SMILES

C/C(/C=C1\N=C(c(cc2)ccc2Br)OC1=O)=C\c1ccccc1

InChI

InChI=1S/C19H14BrNO2/c1-13(11-14-5-3-2-4-6-14)12-17-19(22)23-18(21-17)15-7-9-16(20)10-8-15/h2-12H,1H3

InChI Key

LWTVQBMDAZDECJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00400071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.21

Polar Surface Area

30.376

Acid Dissociation Constant (pKa)

35.54

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with K076-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0617?
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What is the minimum amount of K076-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0617
  • 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 K076-0617 available by request