0782-6969 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

0782-6969 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
0782-6969 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0782-6969
(4Z)-4-[(3-iodophenyl)methylidene]-2-(3-nitrophenyl)-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

0782-6969

Molecular Formula

C16H9IN2O4 (C16 H9 IN2 O4)

Compound Name

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

IUPAC name

(4Z)-4-[(3-iodophenyl)methylidene]-2-(3-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c1cccc(C(OC2=O)=N/C2=C\c2cccc(I)c2)c1)=O

InChI

InChI=1S/C16H9IN2O4/c17-12-5-1-3-10(7-12)8-14-16(20)23-15(18-14)11-4-2-6-13(9-11)19(21)22/h1-9H

InChI Key

XAVYENFMTVDVLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01012263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.50

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0782-6969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0782-6969?
Check Price and Availability of 0782-6969, 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 0782-6969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0782-6969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0782-6969
  • 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 0782-6969 available by request