5141-0397 Screening compound: (4E)-4-({2-[(4-chlorophenyl)sulfanyl]quinolin-3-yl}methylidene)-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

5141-0397 Screening compound: (4E)-4-({2-[(4-chlorophenyl)sulfanyl]quinolin-3-yl}methylidene)-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
5141-0397 Screening compound: (4E)-4-({2-[(4-chlorophenyl)sulfanyl]quinolin-3-yl}methylidene)-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5141-0397
(4E)-4-({2-[(4-chlorophenyl)sulfanyl]quinolin-3-yl}methylidene)-2-(2-methylphenyl)-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

5141-0397

Molecular Formula

C26H17ClN2O2S (C26 H17 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(OC1=O)=N/C1=C/c1cc2ccccc2nc1Sc(cc1)ccc1Cl

InChI

InChI=1S/C26H17ClN2O2S/c1-16-6-2-4-8-21(16)24-28-23(26(30)31-24)15-18-14-17-7-3-5-9-22(17)29-25(18)32-20-12-10-19(27)11-13-20/h2-15H,1H3

InChI Key

REGSORWTJKEPLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.943

Distribution Coefficient, logD

6.943

Water Solubility, LogSw

-6.48

Polar Surface Area

38.566

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 5141-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5141-0397?
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What is the minimum amount of 5141-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5141-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5141-0397
  • 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 5141-0397 available by request