6421-0018 Screening compound: (4Z)-4-{[4-(methylsulfanyl)phenyl]methylidene}-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

6421-0018 Screening compound: (4Z)-4-{[4-(methylsulfanyl)phenyl]methylidene}-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
6421-0018 Screening compound: (4Z)-4-{[4-(methylsulfanyl)phenyl]methylidene}-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6421-0018
(4Z)-4-{[4-(methylsulfanyl)phenyl]methylidene}-3-phenyl-4,5-dihydro-1,2-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

6421-0018

Molecular Formula

C17H13NO2S (C17 H13 NO2 S)

Compound Name

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

IUPAC name

(4Z)-4-{[4-(methylsulfanyl)phenyl]methylidene}-3-phenyl-45-dihydro-12-oxazol-5-one

SMILES

CSc1ccc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc1

InChI

InChI=1S/C17H13NO2S/c1-21-14-9-7-12(8-10-14)11-15-16(18-20-17(15)19)13-5-3-2-4-6-13/h2-11H,1H3

InChI Key

AOZSYCFAFQYRPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08678286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

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

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.00

Polar Surface Area

35.691

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6421-0018 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6421-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6421-0018?
Check Price and Availability of 6421-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6421-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6421-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6421-0018
  • 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 6421-0018 available by request