2047-9650 Screening compound: (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2047-9650 Screening compound: (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2047-9650 Screening compound: (4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9650
(4Z)-2-(4-chloro-3-nitrophenyl)-4-[(3-fluorophenyl)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

2047-9650

Molecular Formula

C16H8ClFN2O4 (C16 H8 ClFN2 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(cc1)C(OC2=O)=N/C2=C\c2cc(F)ccc2)c1Cl)=O

InChI

InChI=1S/C16H8ClFN2O4/c17-12-5-4-10(8-14(12)20(22)23)15-19-13(16(21)24-15)7-9-2-1-3-11(18)6-9/h1-8H

InChI Key

CDJFJQBEPIFAOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01012249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.7

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

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-4.14

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2047-9650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9650?
Check Price and Availability of 2047-9650, 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 2047-9650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9650
  • 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 2047-9650 available by request