2125-0529 Screening compound: (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

2125-0529 Screening compound: (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
2125-0529 Screening compound: (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2125-0529
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(4-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

2125-0529

Molecular Formula

C16H8Cl2N2O4 (C16 H8 Cl2 N2 O4)

Compound Name

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

IUPAC name

(4Z)-4-[(34-dichlorophenyl)methylidene]-2-(4-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C\c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C16H8Cl2N2O4/c17-12-6-1-9(7-13(12)18)8-14-16(21)24-15(19-14)10-2-4-11(5-3-10)20(22)23/h1-8H

InChI Key

AYSPZQUOXYCAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00030558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.16

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

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-5.08

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2125-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2125-0529?
Check Price and Availability of 2125-0529, 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 2125-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2125-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2125-0529
  • 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 2125-0529 available by request