8004-4858 Screening compound: 4-[(E)-1-(4-butoxyphenyl)methylidene]-2-{3-{4-[(E)-1-(4-butoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-[4-[(Z)-1-(4-butoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2(5H)-yl]phenyl}-1,3-oxazol-5(4H)-one

8004-4858 Screening compound: 4-[(E)-1-(4-butoxyphenyl)methylidene]-2-{3-{4-[(E)-1-(4-butoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-[4-[(Z)-1-(4-butoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2(5H)-yl]phenyl}-1,3-oxazol-5(4H)-one
8004-4858 Screening compound: 4-[(E)-1-(4-butoxyphenyl)methylidene]-2-{3-{4-[(E)-1-(4-butoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-[4-[(Z)-1-(4-butoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2(5H)-yl]phenyl}-1,3-oxazol-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4858
4-[(E)-1-(4-butoxyphenyl)methylidene]-2-{3-{4-[(E)-1-(4-butoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-[4-[(Z)-1-(4-butoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2(5H)-yl]phenyl}-1,3-oxazol-5(4H)-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

8004-4858

Molecular Formula

C48H45N3O9 (C48 H45 N3 O9)

Compound Name

4-[(E)-1-(4-butoxyphenyl)methylidene]-2-{3-{4-[(E)-1-(4-butoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl}-5-[4-[(Z)-1-(4-butoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2(5H)-yl]phenyl}-1,3-oxazol-5(4H)-one

IUPAC name

(4E)-4-[(4-butoxyphenyl)methylidene]-2-{3-[(4E)-4-[(4-butoxyphenyl)methylidene]-5-oxo-45-dihydro-13-oxazol-2-yl]-5-[(4Z)-4-[(4-butoxyphenyl)methylidene]-5-oxo-45-dihydro-13-oxazol-2-yl]phenyl}-45-dihydro-13-oxazol-5-one

SMILES

CCCCOc1ccc(/C=C2/N=C(c3cc(C(OC4=O)=N/C4=C\c(cc4)ccc4OCCCC)cc(C(OC4=O)=N/C4=C/c(cc4)ccc4OCCCC)c3)OC2=O)cc1

InChI

InChI=1S/C48H45N3O9/c1-4-7-22-55-37-16-10-31(11-17-37)25-40-46(52)58-43(49-40)34-28-35(44-50-41(47(53)59-44)26-32-12-18-38(19-13-32)56-23-8-5-2)30-36(29-34)45-51-42(48(54)60-45)27-33-14-20-39(21-15-33)57-24-9-6-3/h10-21,25-30H,4-9,22-24H2,1-3H3

InChI Key

JNKAOZCGIYZQET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

807.9

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

10.026

Distribution Coefficient, logD

10.026

Water Solubility, LogSw

-5.67

Polar Surface Area

112.903

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8004-4858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4858?
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What is the minimum amount of 8004-4858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4858
  • 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 8004-4858 available by request