5895-0009 Screening compound: (4Z)-4-[(2-butoxyphenyl)methylidene]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-one

5895-0009 Screening compound: (4Z)-4-[(2-butoxyphenyl)methylidene]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-one
5895-0009 Screening compound: (4Z)-4-[(2-butoxyphenyl)methylidene]-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5895-0009
(4Z)-4-[(2-butoxyphenyl)methylidene]-3-(4-chlorophenyl)-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

5895-0009

Molecular Formula

C20H18ClNO3 (C20 H18 ClNO3)

Compound Name

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

IUPAC name

(4Z)-4-[(2-butoxyphenyl)methylidene]-3-(4-chlorophenyl)-45-dihydro-12-oxazol-5-one

SMILES

CCCCOc1c(/C=C(/C(c(cc2)ccc2Cl)=NO2)\C2=O)cccc1

InChI

InChI=1S/C20H18ClNO3/c1-2-3-12-24-18-7-5-4-6-15(18)13-17-19(22-25-20(17)23)14-8-10-16(21)11-9-14/h4-11,13H,2-3,12H2,1H3

InChI Key

JOEMRWILAVSJOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.99

Polar Surface Area

43.196

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5895-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5895-0009?
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What is the minimum amount of 5895-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5895-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5895-0009
  • 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 5895-0009 available by request