K075-5892 Screening compound: (4Z)-2-(2,4-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

K075-5892 Screening compound: (4Z)-2-(2,4-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
K075-5892 Screening compound: (4Z)-2-(2,4-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K075-5892
(4Z)-2-(2,4-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]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

K075-5892

Molecular Formula

C17H11Cl2NO2S (C17 H11 Cl2 NO2 S)

Compound Name

(4Z)-2-(2,4-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(24-dichlorophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

CSc1ccc(/C=C2\N=C(c(ccc(Cl)c3)c3Cl)OC2=O)cc1

InChI

InChI=1S/C17H11Cl2NO2S/c1-23-12-5-2-10(3-6-12)8-15-17(21)22-16(20-15)13-7-4-11(18)9-14(13)19/h2-9H,1H3

InChI Key

JHNGAQGNINZQIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.64

Polar Surface Area

30.376

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K075-5892 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K075-5892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K075-5892?
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What is the minimum amount of K075-5892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K075-5892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K075-5892
  • 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 K075-5892 available by request