5141-0367 Screening compound: (4E)-2-(2-chlorophenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

5141-0367 Screening compound: (4E)-2-(2-chlorophenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
5141-0367 Screening compound: (4E)-2-(2-chlorophenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5141-0367
(4E)-2-(2-chlorophenyl)-4-{[2-(phenylsulfanyl)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

5141-0367

Molecular Formula

C25H15ClN2O2S (C25 H15 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1OC(c(cccc2)c2Cl)=N/C1=C/c1cc2ccccc2nc1Sc1ccccc1

InChI

InChI=1S/C25H15ClN2O2S/c26-20-12-6-5-11-19(20)23-27-22(25(29)30-23)15-17-14-16-8-4-7-13-21(16)28-24(17)31-18-9-2-1-3-10-18/h1-15H

InChI Key

GXKMFRKRBCNVKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.93

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

6.343

Distribution Coefficient, logD

6.343

Water Solubility, LogSw

-6.38

Polar Surface Area

38.566

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5141-0367 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5141-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5141-0367?
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What is the minimum amount of 5141-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5141-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5141-0367
  • 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 5141-0367 available by request