8008-8572 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

8008-8572 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one
8008-8572 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8572
(4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-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

8008-8572

Molecular Formula

C17H12ClNO4 (C17 H12 ClNO4)

Compound Name

(4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-3-(4-chlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-45-dihydro-12-oxazol-5-one

SMILES

COc(cc(/C=C(/C(c(cc1)ccc1Cl)=NO1)\C1=O)cc1)c1O

InChI

InChI=1S/C17H12ClNO4/c1-22-15-9-10(2-7-14(15)20)8-13-16(19-23-17(13)21)11-3-5-12(18)6-4-11/h2-9,20H,1H3

InChI Key

POXCIMKSKKNYEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.49

Polar Surface Area

59.870

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8008-8572 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 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 8008-8572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8572?
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What is the minimum amount of 8008-8572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8572
  • 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 8008-8572 available by request