3237-1161 Screening compound: (4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one

3237-1161 Screening compound: (4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one
3237-1161 Screening compound: (4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-1161
(4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-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

3237-1161

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

(4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(furan-2-yl)-45-dihydro-13-oxazol-5-one

SMILES

CC(c(cc1)ccc1N/C=C1/N=C(c2ccco2)OC1=O)=O

InChI

InChI=1S/C16H12N2O4/c1-10(19)11-4-6-12(7-5-11)17-9-13-16(20)22-15(18-13)14-3-2-8-21-14/h2-9,17H,1H3

InChI Key

ZPZWTYGXEPAOML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.680

Water Solubility, LogSw

-1.79

Polar Surface Area

64.382

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3237-1161 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 3237-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-1161?
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What is the minimum amount of 3237-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-1161
  • 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 3237-1161 available by request