2062-0967 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2062-0967 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2062-0967 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2062-0967
(4Z)-2-(4-methyl-3-nitrophenyl)-4-[(3-methylphenyl)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

2062-0967

Molecular Formula

C18H14N2O4 (C18 H14 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(/C=C2\N=C(c3cc([N+]([O-])=O)c(C)cc3)OC2=O)c1

InChI

InChI=1S/C18H14N2O4/c1-11-4-3-5-13(8-11)9-15-18(21)24-17(19-15)14-7-6-12(2)16(10-14)20(22)23/h3-10H,1-2H3

InChI Key

FTOYTDWHVAOCMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01012219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

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

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.40

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2062-0967 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2062-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-0967?
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What is the minimum amount of 2062-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-0967
  • 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 2062-0967 available by request