2124-0385 Screening compound: (4E)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

2124-0385 Screening compound: (4E)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
2124-0385 Screening compound: (4E)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2124-0385
(4E)-4-[(2,5-dimethoxyphenyl)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

2124-0385

Molecular Formula

C18H14N2O6 (C18 H14 N2 O6)

Compound Name

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

IUPAC name

(4E)-4-[(25-dimethoxyphenyl)methylidene]-2-(3-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc(cc1)cc(/C=C2/N=C(c3cccc([N+]([O-])=O)c3)OC2=O)c1OC

InChI

InChI=1S/C18H14N2O6/c1-24-14-6-7-16(25-2)12(9-14)10-15-18(21)26-17(19-15)11-4-3-5-13(8-11)20(22)23/h3-10H,1-2H3

InChI Key

KCAMUKFRTFFPAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.84

Polar Surface Area

78.931

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2124-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2124-0385?
Check Price and Availability of 2124-0385, 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 2124-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2124-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2124-0385
  • 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 2124-0385 available by request