K076-0467 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one

K076-0467 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one
K076-0467 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0467
(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-bromophenyl)-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

K076-0467

Molecular Formula

C17H10BrNO4 (C17 H10 BrNO4)

Compound Name

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

IUPAC name

(4Z)-4-[(2H-13-benzodioxol-5-yl)methylidene]-2-(3-bromophenyl)-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c2cccc(Br)c2)=N/C1=C\c(cc1)cc2c1OCO2

InChI

InChI=1S/C17H10BrNO4/c18-12-3-1-2-11(8-12)16-19-13(17(20)23-16)6-10-4-5-14-15(7-10)22-9-21-14/h1-8H,9H2

InChI Key

SLOGZGRLQFNBNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00399111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.34

Polar Surface Area

47.491

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with K076-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0467?
Check Price and Availability of K076-0467, 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 K076-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0467
  • 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 K076-0467 available by request