4171-0232 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

4171-0232 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one
4171-0232 Screening compound: (4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4171-0232
(4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-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

4171-0232

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

(4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4E)-4-[(2-methoxyphenyl)methylidene]-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CC(/C1=C\c(cccc2)c2OC)=NOC1=O

InChI

InChI=1S/C12H11NO3/c1-8-10(12(14)16-13-8)7-9-5-3-4-6-11(9)15-2/h3-7H,1-2H3

InChI Key

WCVBPLSMUZZOOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00501310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.067

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-2.36

Polar Surface Area

42.766

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4171-0232 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4171-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4171-0232?
Check Price and Availability of 4171-0232, 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 4171-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4171-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4171-0232
  • 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 4171-0232 available by request