0782-6830 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

0782-6830 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
0782-6830 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0782-6830
(4Z)-2-(4-butoxyphenyl)-4-[(2-methoxyphenyl)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

0782-6830

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\c(cccc1)c1OC

InChI

InChI=1S/C21H21NO4/c1-3-4-13-25-17-11-9-15(10-12-17)20-22-18(21(23)26-20)14-16-7-5-6-8-19(16)24-2/h5-12,14H,3-4,13H2,1-2H3

InChI Key

BTVCMDJYNATGDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.910

Water Solubility, LogSw

-4.68

Polar Surface Area

45.424

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

0782-6830 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0782-6830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0782-6830?
Check Price and Availability of 0782-6830, 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 0782-6830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0782-6830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0782-6830
  • 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 0782-6830 available by request