2165-0967 Screening compound: 4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate

2165-0967 Screening compound: 4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate
2165-0967 Screening compound: 4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0967
4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate

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

2165-0967

Molecular Formula

C23H23NO6 (C23 H23 NO6)

Compound Name

4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate

IUPAC name

4-{[(4Z)-2-(4-butoxyphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}-2-methoxyphenyl acetate

SMILES

CCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\c(cc1)cc(OC)c1OC(C)=O

InChI

InChI=1S/C23H23NO6/c1-4-5-12-28-18-9-7-17(8-10-18)22-24-19(23(26)30-22)13-16-6-11-20(29-15(2)25)21(14-16)27-3/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

LVEDAYFZOUITMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.37

Polar Surface Area

66.261

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 2165-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0967?
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What is the minimum amount of 2165-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0967
  • 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 2165-0967 available by request