2124-0331 Screening compound: (4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

2124-0331 Screening compound: (4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one
2124-0331 Screening compound: (4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2124-0331
(4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-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

2124-0331

Molecular Formula

C19H14N4O6 (C19 H14 N4 O6)

Compound Name

(4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-{[(2-methyl-5-nitrophenyl)amino]methylidene}-2-[(1E)-2-(3-nitrophenyl)ethenyl]-45-dihydro-13-oxazol-5-one

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N/C=C1/N=C(/C=C/c2cc([N+]([O-])=O)ccc2)OC1=O

InChI

InChI=1S/C19H14N4O6/c1-12-5-7-15(23(27)28)10-16(12)20-11-17-19(24)29-18(21-17)8-6-13-3-2-4-14(9-13)22(25)26/h2-11,20H,1H3

InChI Key

YSSWHARIICHKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.02

Polar Surface Area

108.188

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 2124-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2124-0331?
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What is the minimum amount of 2124-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2124-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2124-0331
  • 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 2124-0331 available by request