K076-0668 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0668 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0668 Screening compound: (4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0668
(4Z)-2-(4-bromophenyl)-4-[(4-bromophenyl)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

K076-0668

Molecular Formula

C16H9Br2NO2 (C16 H9 Br2 NO2)

Compound Name

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

IUPAC name

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

SMILES

O=C1OC(c(cc2)ccc2Br)=N/C1=C\c(cc1)ccc1Br

InChI

InChI=1S/C16H9Br2NO2/c17-12-5-1-10(2-6-12)9-14-16(20)21-15(19-14)11-3-7-13(18)8-4-11/h1-9H

InChI Key

BCILXMMOAHQHSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00418491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-5.12

Polar Surface Area

30.376

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K076-0668 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K076-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0668?
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What is the minimum amount of K076-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0668
  • 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 K076-0668 available by request