5141-0228 Screening compound: (4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}methylidene)-4,5-dihydro-1,3-oxazol-5-one

5141-0228 Screening compound: (4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}methylidene)-4,5-dihydro-1,3-oxazol-5-one
5141-0228 Screening compound: (4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}methylidene)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5141-0228
(4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}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

5141-0228

Molecular Formula

C21H16N2O2S (C21 H16 N2 O2 S)

Compound Name

(4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}methylidene)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-methyl-4-({2-[(4-methylphenyl)sulfanyl]quinolin-3-yl}methylidene)-45-dihydro-13-oxazol-5-one

SMILES

CC(OC1=O)=N/C1=C/c1cc2ccccc2nc1Sc1ccc(C)cc1

InChI

InChI=1S/C21H16N2O2S/c1-13-7-9-17(10-8-13)26-20-16(12-19-21(24)25-14(2)22-19)11-15-5-3-4-6-18(15)23-20/h3-12H,1-2H3

InChI Key

SKFHNHXUVAYALN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09697190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.69

Polar Surface Area

38.059

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 5141-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5141-0228?
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What is the minimum amount of 5141-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5141-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5141-0228
  • 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 5141-0228 available by request