K074-6550 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

K074-6550 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
K074-6550 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K074-6550
(4E)-4-[(2-methoxyphenyl)methylidene]-2-(4-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

K074-6550

Molecular Formula

C17H12N2O5 (C17 H12 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C2/N=C(c(cc3)ccc3[N+]([O-])=O)OC2=O)cccc1

InChI

InChI=1S/C17H12N2O5/c1-23-15-5-3-2-4-12(15)10-14-17(20)24-16(18-14)11-6-8-13(9-7-11)19(21)22/h2-10H,1H3

InChI Key

UTJNMHDBWIPVDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.94

Polar Surface Area

71.388

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with K074-6550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K074-6550?
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What is the minimum amount of K074-6550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K074-6550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K074-6550
  • 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 K074-6550 available by request