K088-0726 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-bromo-2-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

K088-0726 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-bromo-2-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
K088-0726 Screening compound: (4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-bromo-2-methoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-0726
(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-bromo-2-methoxyphenyl)-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

K088-0726

Molecular Formula

C18H12BrNO5 (C18 H12 BrNO5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Br)c1)c1C(OC1=O)=N/C1=C\c(cc1)cc2c1OCO2

InChI

InChI=1S/C18H12BrNO5/c1-22-14-5-3-11(19)8-12(14)17-20-13(18(21)25-17)6-10-2-4-15-16(7-10)24-9-23-15/h2-8H,9H2,1H3

InChI Key

XQIHIIAJCQOJQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.11

Polar Surface Area

55.121

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K088-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-0726?
Check Price and Availability of K088-0726, 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 K088-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-0726
  • 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 K088-0726 available by request