2125-0496 Screening compound: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

2125-0496 Screening compound: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
2125-0496 Screening compound: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2125-0496
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methyl-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

2125-0496

Molecular Formula

C19H16N2O6 (C19 H16 N2 O6)

Compound Name

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

IUPAC name

(4E)-4-[(34-dimethoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

Cc(ccc(C(OC1=O)=N/C1=C/c(cc1)cc(OC)c1OC)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H16N2O6/c1-11-4-6-13(10-15(11)21(23)24)18-20-14(19(22)27-18)8-12-5-7-16(25-2)17(9-12)26-3/h4-10H,1-3H3

InChI Key

SBTVIJFIVRDLGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.35

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

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.63

Polar Surface Area

78.717

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2125-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2125-0496?
Check Price and Availability of 2125-0496, 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 2125-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2125-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2125-0496
  • 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 2125-0496 available by request