K076-0486 Screening compound: (4E)-2-(3-bromophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0486 Screening compound: (4E)-2-(3-bromophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0486 Screening compound: (4E)-2-(3-bromophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0486
(4E)-2-(3-bromophenyl)-4-[(2-methoxynaphthalen-1-yl)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

K076-0486

Molecular Formula

C21H14BrNO3 (C21 H14 BrNO3)

Compound Name

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

IUPAC name

(4E)-2-(3-bromophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc1c(/C=C2/N=C(c3cccc(Br)c3)OC2=O)c2ccccc2cc1

InChI

InChI=1S/C21H14BrNO3/c1-25-19-10-9-13-5-2-3-8-16(13)17(19)12-18-21(24)26-20(23-18)14-6-4-7-15(22)11-14/h2-12H,1H3

InChI Key

GIWNHMGGHIMHKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-6.28

Polar Surface Area

37.734

Acid Dissociation Constant (pKa)

32.92

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K076-0486 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with K076-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0486?
Check Price and Availability of K076-0486, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K076-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0486
  • 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 K076-0486 available by request